| Year |
Citation |
Score |
| 2018 |
Paldus J, Planelles J. Valence bond approach and Verma bases Journal of Mathematical Chemistry. 56: 1595-1630. DOI: 10.1007/S10910-018-0876-7 |
0.452 |
|
| 2016 |
Paldus J. Externally and internally corrected coupled cluster approaches: an overview Journal of Mathematical Chemistry. 1-26. DOI: 10.1007/S10910-016-0688-6 |
0.424 |
|
| 2014 |
Holka F, Urban M, Neogrády P, Paldus J. CCSD(T) calculations of confined systems: in-crystal polarizabilities of F⁻, Cl⁻, O²⁻, and S²⁻. The Journal of Chemical Physics. 141: 214303. PMID 25481140 DOI: 10.1063/1.4902353 |
0.306 |
|
| 2014 |
Sako T, Paldus J, Diercksen GHF. Angular correlation in He and He-like atomic ions: A manifestation of the genuine and conjugate Fermi holes Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/Physreva.89.062501 |
0.357 |
|
| 2014 |
Paldus J, Sako T, Diercksen GHF. On the cluster structure of linear-chain fermionic wave functions Journal of Mathematical Chemistry. 53: 629-650. DOI: 10.1007/S10910-014-0445-7 |
0.461 |
|
| 2014 |
Li X, Paldus J. Unitary group approach to the many-electron correlation problem: Spin-dependent operators Theoretical Chemistry Accounts. 133: 1-16. DOI: 10.1007/S00214-014-1467-8 |
0.37 |
|
| 2013 |
Paldus J, Sako T, Li X, Diercksen GHF. Symmetry-breaking in the independent particle model: Nature of the singular behavior of Hartree-Fock potentials Journal of Mathematical Chemistry. 51: 427-450. DOI: 10.1007/S10910-012-0093-8 |
0.398 |
|
| 2012 |
Sako T, Paldus J, Ichimura A, Diercksen GHF. Origin of the first Hund rule and the structure of Fermi holes in two-dimensional He-like atoms and two-electron quantum dots Journal of Physics B: Atomic, Molecular and Optical Physics. 45. DOI: 10.1088/0953-4075/45/23/235001 |
0.346 |
|
| 2011 |
Li X, Paldus J. Multi-reference state-universal coupled-cluster approaches to electronically excited states. The Journal of Chemical Physics. 134: 214118. PMID 21663355 DOI: 10.1063/1.3595513 |
0.503 |
|
| 2011 |
Li X, Paldus J. Multireference coupled-cluster study of the symmetry breaking in the C2B radical. The Journal of Chemical Physics. 134: 074301. PMID 21341838 DOI: 10.1063/1.3554210 |
0.511 |
|
| 2011 |
Špirko V, Li X, Paldus J. Potential energy curve of N2 revisited Collection of Czechoslovak Chemical Communications. 76: 327-341. DOI: 10.1135/Cccc2010151 |
0.412 |
|
| 2011 |
Sako T, Paldus J, Ichimura A, Diercksen GHF. Origin of Hund's multiplicity rule in singly excited helium: Existence of a conjugate Fermi hole in the lower spin state Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.032511 |
0.374 |
|
| 2010 |
Li X, Paldus J. Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states. The Journal of Chemical Physics. 133: 184106. PMID 21073212 DOI: 10.1063/1.3494538 |
0.459 |
|
| 2010 |
Li X, Paldus J. Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: symmetric and asymmetric dissociation of water. The Journal of Chemical Physics. 133: 024102. PMID 20632743 DOI: 10.1063/1.3451074 |
0.484 |
|
| 2010 |
Li X, Paldus J. Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study. The Journal of Chemical Physics. 132: 114103. PMID 20331277 DOI: 10.1063/1.3354947 |
0.445 |
|
| 2010 |
Li X, Paldus J. A multireference coupled-cluster study of electronic excitations in furan and pyrrole. The Journal of Physical Chemistry. A. 114: 8591-600. PMID 20155956 DOI: 10.1021/Jp911602K |
0.496 |
|
| 2010 |
Sako T, Paldus J, Diercksen GHF. Origin of Hund's multiplicity rule in quasi-two-dimensional two-electron quantum dots Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.022501 |
0.388 |
|
| 2010 |
Paldus J. QCI and related CC approaches: A retrospection Molecular Physics. 108: 2941-2950. DOI: 10.1080/00268976.2010.505212 |
0.425 |
|
| 2010 |
Li X, Paldus J. Model space incompleteness in multireference state-universal and state-selective coupled-cluster theories Chemical Physics Letters. 496: 183-187. DOI: 10.1016/J.Cplett.2010.07.028 |
0.43 |
|
| 2010 |
Li X, Paldus J. Multireference coupled-cluster methods for ground and low-lying excited states. A benchmark illustration on CH+ potentials International Journal of Quantum Chemistry. 110: 2734-2743. DOI: 10.1002/Qua.22761 |
0.461 |
|
| 2009 |
Li X, Paldus J. Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods. The Journal of Chemical Physics. 131: 114103. PMID 19778096 DOI: 10.1063/1.3225203 |
0.467 |
|
| 2009 |
Li X, Paldus J. Computation of molecular vibrational frequencies using anomalous harmoniclike potentials. The Journal of Chemical Physics. 131: 044121. PMID 19655851 DOI: 10.1063/1.3192100 |
0.366 |
|
| 2009 |
Li X, Paldus J. Symmetry breaking in spin-restricted Hartree-Fock solutions: The case of the C2 molecule and the N21+andF 21+cations Physical Chemistry Chemical Physics. 11: 5281-5289. PMID 19551195 DOI: 10.1039/B900184K |
0.449 |
|
| 2009 |
Li X, Paldus J. Analysis and classification of symmetry breaking in linear ABA-type triatomics. The Journal of Chemical Physics. 130: 164116. PMID 19405570 DOI: 10.1063/1.3125005 |
0.363 |
|
| 2009 |
Li X, Paldus J. Do independent-particle-model broken-symmetry solutions contain more physics than the symmetry-adapted ones? The case of homonuclear diatomics. The Journal of Chemical Physics. 130: 084110. PMID 19256600 DOI: 10.1063/1.3078417 |
0.388 |
|
| 2009 |
Li X, Paldus J. Energetics of naphthynes - Performance of reduced multi-reference coupled-cluster methods for diradicals1 Canadian Journal of Chemistry. 87: 917-926. DOI: 10.1139/V09-029 |
0.393 |
|
| 2009 |
Sako T, Paldus J, Diercksen GHF. The Energy Level Structure of Low-dimensional Multi-electron Quantum Dots Advances in Quantum Chemistry. 58: 177-201. DOI: 10.1016/S0065-3276(09)00709-6 |
0.339 |
|
| 2009 |
Paldus J. A pattern calculus for the unitary group approach to the electronic correlation problem International Journal of Quantum Chemistry. 9: 165-174. DOI: 10.1002/Qua.560090823 |
0.402 |
|
| 2009 |
Paldus J, Čižek J, HubaČ I. Correlation effects in the low‐lying excited states of the PPP models of alternant hydrocarbons. II. State correlation diagrams International Journal of Quantum Chemistry. 8: 293-303. DOI: 10.1002/Qua.560080834 |
0.454 |
|
| 2009 |
C̆íz̆ek J, Paldus J. A direct calculation of the excitation energies of closed-shell systems using the green function techniqueM† International Journal of Quantum Chemistry. 6: 435-438. DOI: 10.1002/Qua.560060648 |
0.332 |
|
| 2009 |
Sengupta S, Paldus J, C̆íz̆ek J. Geminal Localization in the Separated-Pair Model II. Excited States of the Φ-Electronic Model of Benzene† International Journal of Quantum Chemistry. 6: 153-169. DOI: 10.1002/Qua.560060617 |
0.419 |
|
| 2009 |
Li X, Paldus J. Energetics of 1,n-didehydro-polyene diradicals and performance of reduced multireference coupled-cluster method International Journal of Quantum Chemistry. 109: 3305-3314. DOI: 10.1002/Qua.22186 |
0.487 |
|
| 2009 |
Li X, Paldus J. Symmetry breaking in spin-restricted, open-shell hartree-fock wave functions International Journal of Quantum Chemistry. 109: 1756-1765. DOI: 10.1002/Qua.22098 |
0.441 |
|
| 2008 |
Li X, Paldus J. Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods. The Journal of Chemical Physics. 129: 174101. PMID 19045327 DOI: 10.1063/1.2999560 |
0.49 |
|
| 2008 |
Li X, Paldus J. Full potential energy curve for N2 by the reduced multireference coupled-cluster method. The Journal of Chemical Physics. 129: 054104. PMID 18698885 DOI: 10.1063/1.2961033 |
0.436 |
|
| 2008 |
Li X, Paldus J. Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance. The Journal of Chemical Physics. 128: 144119. PMID 18412435 DOI: 10.1063/1.2868768 |
0.446 |
|
| 2008 |
Li X, Paldus J. Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship. The Journal of Chemical Physics. 128: 144118. PMID 18412434 DOI: 10.1063/1.2868758 |
0.436 |
|
| 2008 |
Li X, Paldus J. Reduced multireference coupled-cluster method and its application to the pyridyne diradicals Journal of Theoretical and Computational Chemistry. 7: 805-820. DOI: 10.1142/S0219633608004131 |
0.507 |
|
| 2008 |
Paldus J, Li X. Nondynamic correlation and coupled-cluster methods Aip Conference Proceedings. 995: 43-52. DOI: 10.1063/1.2915612 |
0.35 |
|
| 2008 |
Li X, Gour JR, Paldus J, Piecuch P. On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2 Chemical Physics Letters. 461: 321-326. DOI: 10.1016/J.Cplett.2008.07.004 |
0.447 |
|
| 2008 |
Paldus J, Thiamová G. Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes Journal of Mathematical Chemistry. 44: 88-120. DOI: 10.1007/S10910-007-9295-X |
0.359 |
|
| 2008 |
Li X, Paldus J. Coupled-cluster approach to spontaneous symmetry breaking in molecules: The linear N3 radical International Journal of Quantum Chemistry. 108: 2117-2127. DOI: 10.1002/Qua.21746 |
0.48 |
|
| 2007 |
Li X, Paldus J. Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds. The Journal of Chemical Physics. 126: 234303. PMID 17600416 DOI: 10.1063/1.2741265 |
0.354 |
|
| 2007 |
Li X, Paldus J. Real or artifactual symmetry breaking in the BNB radical: a multireference coupled cluster viewpoint. The Journal of Chemical Physics. 126: 224304. PMID 17581051 DOI: 10.1063/1.2746027 |
0.395 |
|
| 2007 |
Li X, Paldus J. Reduced multireference coupled-cluster method: barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions. The Journal of Physical Chemistry. A. 111: 11189-97. PMID 17439105 DOI: 10.1021/Jp068226X |
0.326 |
|
| 2007 |
Paldus J, Li X. Correction for triples in reduced multireference coupled-cluster approaches Collection of Czechoslovak Chemical Communications. 72: 100-120. DOI: 10.1135/Cccc20070100 |
0.437 |
|
| 2006 |
Li X, Paldus J. A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4). The Journal of Chemical Physics. 125: 164107. PMID 17092063 DOI: 10.1063/1.2361295 |
0.381 |
|
| 2006 |
Li X, Paldus J. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples. The Journal of Chemical Physics. 124: 174101. PMID 16689561 DOI: 10.1063/1.2194543 |
0.387 |
|
| 2006 |
Li X, Paldus J. General-model-space state-universal coupled-cluster methods for excited states: diagonal noniterative triple corrections. The Journal of Chemical Physics. 124: 034112. PMID 16438572 DOI: 10.1063/1.2151893 |
0.487 |
|
| 2006 |
Li X, Paldus J. Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful? Molecular Physics. 104: 2047-2062. DOI: 10.1080/00268976.2006.10384474 |
0.447 |
|
| 2006 |
Li X, Paldus J. Diagonal perturbative triple corrections to the general-model-space state-universal coupled-cluster method: Are they warranted and useful? Molecular Physics. 104: 2047-2062. DOI: 10.1080/00268970600659560 |
0.407 |
|
| 2006 |
Li X, Paldus J. General-model-space state-universal coupled-cluster method: Excitation energies of water Molecular Physics. 104: 661-676. DOI: 10.1080/00268970500416145 |
0.431 |
|
| 2006 |
Wormer PES, Paldus J. Angular Momentum Diagrams Advances in Quantum Chemistry. 51: 59-123. DOI: 10.1016/S0065-3276(06)51002-0 |
0.371 |
|
| 2006 |
Li X, Paldus J. Singlet-triplet separation in BN and C2: Simple yet exceptional systems for advanced correlated methods Chemical Physics Letters. 431: 179-184. DOI: 10.1016/J.Cplett.2006.09.053 |
0.414 |
|
| 2005 |
Pittner J, Li X, Paldus J. Multi-reference Brillouin-Wigner coupled-cluster method with a general model space Molecular Physics. 103: 2239-2245. DOI: 10.1080/01449290500102169 |
0.398 |
|
| 2005 |
Li X, Paldus J. Recursive generation of natural orbitals in a truncated orbital space International Journal of Quantum Chemistry. 105: 672-678. DOI: 10.1002/Qua.20654 |
0.418 |
|
| 2004 |
Li X, Paldus J. Performance of the general-model-space state-universal coupled-cluster method. The Journal of Chemical Physics. 120: 5890-902. PMID 15267471 DOI: 10.1063/1.1650327 |
0.438 |
|
| 2004 |
Paldus J, Li X. Can we avoid the intruder-state problems in the state-universal coupled-cluster approaches while preserving size extensivity? Collection of Czechoslovak Chemical Communications. 69: 90-104. DOI: 10.1135/Cccc20040090 |
0.462 |
|
| 2004 |
Paldus J, Li X, Petraco NDK. General-model-space state-universal coupled-cluster method: Diagrammatic approach Journal of Mathematical Chemistry. 35: 215-251. DOI: 10.1023/B:Jomc.0000033257.87377.1F |
0.493 |
|
| 2004 |
Li X, Paldus J. Size extensivity of a general-model-space state-universal coupled-cluster method International Journal of Quantum Chemistry. 99: 914-924. DOI: 10.1002/Qua.20144 |
0.421 |
|
| 2003 |
Ema I, García De La Vega JM, Ramírez G, López R, Fernández Rico J, Meissner H, Paldus J. Polarized basis sets of Slater-type orbitals: H to Ne atoms. Journal of Computational Chemistry. 24: 859-68. PMID 12692795 DOI: 10.1002/Jcc.10227 |
0.357 |
|
| 2003 |
Paldus J, Li X. Coupled-cluster approach to correlation in small molecules: Energy versus amplitude corrected methods International Journal of Modern Physics B. 17: 5379-5391. DOI: 10.1142/S0217979203020491 |
0.373 |
|
| 2003 |
Paldus J, Li X. Externally corrected coupled-cluster approaches: Energy versus amplitude corrected CCSD Collection of Czechoslovak Chemical Communications. 68: 554-586. DOI: 10.1135/Cccc20030554 |
0.45 |
|
| 2003 |
Li X, Paldus J. The general-model-space state-universal coupled-cluster method exemplified by the LiH molecule Journal of Chemical Physics. 119: 5346-5357. DOI: 10.1063/1.1599335 |
0.473 |
|
| 2003 |
Li X, Paldus J. N-reference, M-state coupled-cluster method: Merging the state-universal and reduced multireference coupled-cluster theories Journal of Chemical Physics. 119: 5334-5345. DOI: 10.1063/1.1599302 |
0.441 |
|
| 2003 |
Li X, Paldus J. General-model-space state-universal coupled-cluster theory: Connectivity conditions and explicit equations Journal of Chemical Physics. 119: 5320-5333. DOI: 10.1063/1.1599283 |
0.445 |
|
| 2003 |
Paldus J, Li X. Analysis of the multireference state-universal coupled-cluster Ansatz Journal of Chemical Physics. 118: 6769-6783. DOI: 10.1063/1.1560133 |
0.409 |
|
| 2003 |
Li X, Paldus J. An accurate determination of rovibrational spectra using the externally corrected coupled-cluster approaches: LiH ground state Journal of Chemical Physics. 118: 2470-2481. DOI: 10.1063/1.1535438 |
0.416 |
|
| 2002 |
Li X, Paldus J. Energy- versus amplitude-corrected coupled-cluster approaches. III. Accurate computation of spectroscopic data exemplified on the HF molecule Journal of Chemical Physics. 117: 1941-1955. DOI: 10.1063/1.1488597 |
0.438 |
|
| 2002 |
Stuber JL, Paldus J. Coupled cluster approach to electron densities Journal of Molecular Structure: Theochem. 591: 219-230. DOI: 10.1016/S0166-1280(02)00243-9 |
0.789 |
|
| 2001 |
Meissner H, Paldus J. Analytic energy derivatives for the direct iterative approach to the generalized bloch equation Collection of Czechoslovak Chemical Communications. 66: 1164-1189. DOI: 10.1135/Cccc20011164 |
0.366 |
|
| 2001 |
Li X, Paldus J. Energy versus amplitude corrected coupled-cluster approaches. II. Breaking the triple bond Journal of Chemical Physics. 115: 5774-5783. DOI: 10.1063/1.1398089 |
0.416 |
|
| 2001 |
Li X, Paldus J. Energy versus amplitude corrected coupled-cluster approaches. I Journal of Chemical Physics. 115: 5759-5773. DOI: 10.1063/1.1398088 |
0.435 |
|
| 2000 |
Li X, Paldus J. Reduced multireference coupled cluster method IV: Open-shell systems Molecular Physics. 98: 1185-1199. DOI: 10.1080/00268970050080546 |
0.508 |
|
| 2000 |
Li X, Paldus J. Reduced multireference coupled cluster method: Ro-vibrational spectra of N2 Journal of Chemical Physics. 113: 9966-9977. DOI: 10.1063/1.1323260 |
0.397 |
|
| 2000 |
Meißner H, Paldus J. Direct iterative solution of the generalized Bloch equation. IV. Application to H2, LiH, BeH, and CH2 Journal of Chemical Physics. 113: 2622-2637. DOI: 10.1063/1.1305323 |
0.389 |
|
| 2000 |
Meißner H, Paldus J. Direct iterative solution of the generalized Bloch equation. III. Application to H2-cluster models Journal of Chemical Physics. 113: 2612-2621. DOI: 10.1063/1.1305322 |
0.414 |
|
| 2000 |
Meißner H, Paldus J. Direct iterative solution of the generalized Bloch equation. II. A general formalism for many-electron systems Journal of Chemical Physics. 113: 2594-2611. DOI: 10.1063/1.1305321 |
0.364 |
|
| 2000 |
Li X, Paldus J. Unitary group based coupled cluster method for open-shell singlets: Application to the a1δ state of OH+ Journal of Molecular Structure: Theochem. 527: 165-172. DOI: 10.1016/S0166-1280(00)00489-9 |
0.486 |
|
| 2000 |
Meissner H, Paldus J. Direct iterative solution of the generalized Bloch equation. V. Application to N2 International Journal of Quantum Chemistry. 80: 782-798. DOI: 10.1002/1097-461X(2000)80:4/5<782::Aid-Qua26>3.0.Co;2-3 |
0.411 |
|
| 2000 |
Li X, Paldus J. Truncated version of the reduced multireference coupled-cluster method with perturbation selection of higher than pair clusters International Journal of Quantum Chemistry. 80: 743-756. DOI: 10.1002/1097-461X(2000)80:4/5<743::Aid-Qua24>3.0.Co;2-K |
0.436 |
|
| 2000 |
Planelles J, Peris G, Paldus J. Reciprocal Adjustment of Approximate Coupled Cluster and Configuration Interaction Approaches International Journal of Quantum Chemistry. 77: 693-703. DOI: 10.1002/(Sici)1097-461X(2000)77:4<693::Aid-Qua1>3.0.Co;2-P |
0.415 |
|
| 2000 |
Li X, Paldus J. Effect of spin contamination on the prediction of barrier heights by coupled-cluster theory: F+H2→HF+H reaction Dedicated to Professor Michael C. Zerner, a distinguished scientist and educator, and cherished friend and colleague, at the occasion of his 60th birthday. International Journal of Quantum Chemistry. 77: 281. DOI: 10.1002/(Sici)1097-461X(2000)77:1<281::Aid-Qua25>3.3.Co;2-4 |
0.346 |
|
| 1999 |
Peris G, Planelles J, Malrieu JP, Paldus J. Perturbatively selected Cl as an optimal source for externally corrected CCSD Journal of Chemical Physics. 110: 11708-11716. DOI: 10.1063/1.479116 |
0.451 |
|
| 1999 |
Li X, Paldus J. Simultaneous handling of dynamical and nondynamical correlation via reduced multireference coupled cluster method: Geometry and harmonic force field of ozone Journal of Chemical Physics. 110: 2844-2852. DOI: 10.1063/1.477926 |
0.402 |
|
| 1999 |
Li X, Grabowski I, Jankowski K, Paldus J. Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost-Linear Coupled Cluster Methods with Singles and Doubles Advances in Quantum Chemistry. 36: 231-251. DOI: 10.1016/S0065-3276(08)60485-2 |
0.484 |
|
| 1999 |
Paldus J, Li X. Electron Correlation in Small Molecules: Grafting CI onto CC Topics in Current Chemistry. 203: 1-20. DOI: 10.1007/3-540-48972-X_1 |
0.453 |
|
| 1999 |
Li X, Paldus J. Size dependence of the X1Ag → 11Bu excitation energy in linear polyenes International Journal of Quantum Chemistry. 74: 177-192. DOI: 10.1002/(Sici)1097-461X(1999)74:2<177::Aid-Qua14>3.0.Co;2-T |
0.47 |
|
| 1999 |
Paldus J, Li X. A critical assessment of coupled cluster method in quantum chemistry Advances in Chemical Physics. 110: 1-175. |
0.374 |
|
| 1998 |
Li X, Paldus J. Singlet-triplet splitting in methylene: An accurate description of dynamic and nondynamic correlation by reduced multireference coupled cluster method Collection of Czechoslovak Chemical Communications. 63: 1381-1393. DOI: 10.1135/Cccc19981381 |
0.5 |
|
| 1998 |
Peris G, Rajadell F, Li X, Planelles J, Paldus J. Externally corrected singles and doubles coupled cluster methods for open-shell systems. II. Applications to the low lying doublet states of OH, NH2, CH3 and CN radicals Molecular Physics. 94: 235-248. DOI: 10.1080/002689798168529 |
0.478 |
|
| 1998 |
Piecuch P, Spirko V, Kondo AE, Paldus J. Vibrational dependence of the dipole moment and radiative transition probabilities in the X1Sigma + state of HF: a linear-response coupled-cluster study Molecular Physics. 94: 55-64. DOI: 10.1080/002689798168349 |
0.455 |
|
| 1998 |
Li X, Paldus J. Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, F2, and H2O Journal of Chemical Physics. 108: 637-648. DOI: 10.1063/1.475425 |
0.447 |
|
| 1998 |
Li X, Paldus J. Dissociation of N 2 triple bond: A reduced multireference CCSD study Chemical Physics Letters. 286: 145-154. DOI: 10.1016/S0009-2614(97)01132-9 |
0.457 |
|
| 1998 |
Li X, Paldus J. Unitary‐group‐based open‐shell coupled‐cluster method with corrections for connected triexcited clusters. I. Theory International Journal of Quantum Chemistry. 70: 65-75. DOI: 10.1002/(Sici)1097-461X(1998)70:1<65::Aid-Qua4>3.0.Co;2-3 |
0.376 |
|
| 1998 |
Li X, Paldus J. Unitary-group-based open-shell coupled-cluster method with corrections for connected triexcited clusters. I. Theory International Journal of Quantum Chemistry. 70: 65-75. |
0.367 |
|
| 1998 |
Li X, Paldus J. Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications Molecular Physics. 94: 41-54. |
0.366 |
|
| 1997 |
Li X, Peris G, Planelles J, Rajadall F, Paldus J. Externally corrected singles and doubles coupled cluster methods for open-shell systems Journal of Chemical Physics. 107: 90-98. DOI: 10.1063/1.474355 |
0.482 |
|
| 1997 |
Li X, Paldus J. Reduced multireference CCSD method: An effective approach to quasidegenerate states Journal of Chemical Physics. 107: 6257-6269. DOI: 10.1063/1.474289 |
0.474 |
|
| 1997 |
Piecuch P, Paldus J. The convergence of energy expansions for molecules in electrostatic fields: A linear-response coupled-cluster study Journal of Mathematical Chemistry. 21: 51-70. DOI: 10.1023/A:1019110116658 |
0.405 |
|
| 1997 |
Li X, Paldus J. Perturbation Theory for Low-Spin Open-Shell States Advances in Quantum Chemistry. 28: 15-32. DOI: 10.1016/S0065-3276(08)60204-X |
0.407 |
|
| 1996 |
Paldus J, Li X. Calculation of static molecular properties in the framework of the unitary group based coupled cluster approach Canadian Journal of Chemistry. 74: 918-930. DOI: 10.1139/V96-101 |
0.499 |
|
| 1996 |
Piecuch P, Špirko V, Paldus J. Molecular quadrupole moment function of ammonia Journal of Chemical Physics. 105: 11068-11074. DOI: 10.1063/1.472907 |
0.385 |
|
| 1996 |
Li X, Paldus J. A unitary group based open-shell coupled cluster study of vibrational frequencies in ground and excited states of first row diatomics Journal of Chemical Physics. 104: 9555-9562. DOI: 10.1063/1.471697 |
0.388 |
|
| 1996 |
Špirko V, Piecuch P, Kondo AE, Paldus J. Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects Journal of Chemical Physics. 104: 4716-4727. DOI: 10.1063/1.471165 |
0.407 |
|
| 1996 |
Piecuch P, Kondo AE, Špirko V, Paldus J. Molecular quadrupole moment functions of HF and N2. I. Ab initio linear-response coupled-cluster results Journal of Chemical Physics. 104: 4699-4715. DOI: 10.1063/1.471164 |
0.465 |
|
| 1996 |
Li X, Paldus J. Valence bond description of spin properties of π-conjugated systems Chemical Physics. 204: 447-461. DOI: 10.1016/0301-0104(95)00291-X |
0.323 |
|
| 1996 |
Li X, Paldus J. Bond length alternation in cyclic polyenes. VII. Valence bond theory approach International Journal of Quantum Chemistry. 60: 513-527. DOI: 10.1002/(Sici)1097-461X(1996)60:1<513::Aid-Qua50>3.0.Co;2-8 |
0.373 |
|
| 1996 |
Kondo AE, Piecuch P, Paldus J. Orthogonally spin-adapted single-reference Coupled-Cluster formalism: Linear Response calculation of higher-order static properties Journal of Chemical Physics. 104: 8566-8585. |
0.317 |
|
| 1995 |
Li X, Paldus J. Unitary group based open-shell coupled cluster approach and triplet and open-shell singlet stabilities of Hartree-Fock references The Journal of Chemical Physics. 103: 6536-6547. DOI: 10.1063/1.470380 |
0.517 |
|
| 1995 |
Li X, Paldus J. Comparison of the open‐shell state‐universal and state‐selective coupled‐cluster theories: H4 and H8 models Journal of Chemical Physics. 103: 1024-1034. DOI: 10.1063/1.469812 |
0.424 |
|
| 1995 |
Kondo AE, Piecuch P, Paldus J. Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of static properties Journal of Chemical Physics. 102: 6511-6524. DOI: 10.1063/1.469365 |
0.441 |
|
| 1995 |
Li X, Paldus J. Unitary group based state specific open-shell-singlet coupled-cluster method: Application to ozone and comparison with Hilbert and Fock space theories The Journal of Chemical Physics. 102: 8059-8070. DOI: 10.1063/1.469005 |
0.485 |
|
| 1995 |
Li X, Paldus J. Unitary group based state-selective coupled-cluster method: Comparison of the first order interacting space and the full single and double excitation space approximations The Journal of Chemical Physics. 102: 8897-8905. DOI: 10.1063/1.468943 |
0.435 |
|
| 1995 |
Li X, Paldus J. Spin‐adapted open‐shell state‐selective coupled cluster approach and doublet stability of its Hartree–Fock reference Journal of Chemical Physics. 102: 2013-2023. DOI: 10.1063/1.468766 |
0.478 |
|
| 1995 |
Piecuch P, Paldus J. Property evaluation using the two-reference state-universal coupled-cluster method Journal of Physical Chemistry. 99: 15354-15368. DOI: 10.1021/J100042A006 |
0.41 |
|
| 1995 |
Jeziorski B, Paldus J, Jankowski P. Unitary group approach to spin‐adapted open‐shell coupled cluster theory International Journal of Quantum Chemistry. 56: 129-155. DOI: 10.1002/Qua.560560302 |
0.461 |
|
| 1995 |
Piecuch P, Toboła R, Paldus J. Coupled‐Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin‐adapted CCD + ST(CCD), CCSD + T(CCSD), and ACPQ + ST(ACPQ) formalisms International Journal of Quantum Chemistry. 55: 133-146. DOI: 10.1002/Qua.560550208 |
0.471 |
|
| 1995 |
Takahashi M, Bracken P, Čížek J, Paldus J. Perturbation expansion of the ground‐state energy for the one‐dimensional cyclic Hubbard system in the Hückel limit International Journal of Quantum Chemistry. 53: 457-466. DOI: 10.1002/Qua.560530502 |
0.379 |
|
| 1995 |
Li X, Paldus J. Comparison of the open-shell state-universal and state-selective coupled-cluster theories: H4 and H8 models The Journal of Chemical Physics. 103: 1024-1034. |
0.324 |
|
| 1995 |
Li X, Paldus J. Spin-adapted open-shell state-selective coupled cluster approach and doublet stability of its Hartree-Fock reference The Journal of Chemical Physics. 102: 2013-2023. |
0.405 |
|
| 1995 |
Kondo AE, Piecuch P, Paldus J. Orthogonally spin-adapted single-reference coupled-cluster formalism: Linear response calculation of static properties The Journal of Chemical Physics. 102: 6511-6524. |
0.32 |
|
| 1994 |
Jankowski K, Paldus J, Grabowski I, Kowalski K. Erratum: Applicability of valence‐universal multireference coupled‐cluster theories to quasidegenerate electronic states. I. Models involving at most two‐body amplitudes [J. Chem. Phys. 97, 7600 (1992)] The Journal of Chemical Physics. 101: 1759-1759. DOI: 10.1063/1.468519 |
0.373 |
|
| 1994 |
Li X, Paldus J. Automation of the implementation of spin-adapted open-shell coupled-cluster theories relying on the unitary group formalism The Journal of Chemical Physics. 101: 8812-8826. DOI: 10.1063/1.468074 |
0.497 |
|
| 1994 |
Piecuch P, Paldus J. Orthogonally spin-adapted state-universal coupled-cluster formalism: Implementation of the complete two-reference theory including cubic and quartic coupling terms The Journal of Chemical Physics. 101: 5875-5890. DOI: 10.1063/1.467304 |
0.51 |
|
| 1994 |
Li X, Paldus J. Computation of ionization potentials using the unitary group based open-shell coupled-cluster theory Chemical Physics Letters. 231: 1-8. DOI: 10.1016/0009-2614(94)01227-X |
0.48 |
|
| 1994 |
Piecuch P, Li X, Paldus J. An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods Chemical Physics Letters. 230: 377-386. DOI: 10.1016/0009-2614(94)01167-2 |
0.429 |
|
| 1994 |
Li X, Piecuch P, Paldus J. A study of 1A1-3B1 separation in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods Chemical Physics Letters. 224: 267-274. DOI: 10.1016/0009-2614(94)00563-X |
0.451 |
|
| 1994 |
Planelles J, Paldus J, Li X. Valence bond corrected single reference coupled cluster approach - III. Simple model of bond breaking or formation Theoretica Chimica Acta. 89: 59-76. DOI: 10.1007/Bf01123870 |
0.451 |
|
| 1994 |
Planelles J, Paldus J, Li X. Valence bond corrected single reference coupled cluster approach - II. Application to PPP model systems Theoretica Chimica Acta. 89: 33-57. DOI: 10.1007/Bf01123869 |
0.478 |
|
| 1994 |
Paldus J, Planelles J. Valence bond corrected single reference coupled cluster approach - I. General formalism Theoretica Chimica Acta. 89: 13-31. DOI: 10.1007/Bf01123868 |
0.422 |
|
| 1994 |
Taneri U, Paldus J. Evaluation of group theoretical characteristics using the symbolic manipulation language MAPLE International Journal of Quantum Chemistry. 52: 139-154. DOI: 10.1002/Qua.560520816 |
0.348 |
|
| 1994 |
Jankowski K, Paldus J, Grabowski I, Kowalski K. Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states. II. Models involving three-body amplitudes The Journal of Chemical Physics. 101: 3085-3095. |
0.372 |
|
| 1993 |
Paldus J, Piecuch P, Pylypow L, Jeziorski B. Application of Hilbert-space coupled-cluster theory to simple (H2)2 model systems: Planar models. Physical Review. A. 47: 2738-2782. PMID 9909245 DOI: 10.1103/Physreva.47.2738 |
0.431 |
|
| 1993 |
Piecuch P, Toboła R, Paldus J. Approximate account of connected quadruply excited clusters in multi-reference Hilbert space coupled-cluster theory. Application to planar H4 models Chemical Physics Letters. 210: 243-252. DOI: 10.1016/0009-2614(93)89129-6 |
0.44 |
|
| 1993 |
Li X, Paldus J. Unitary group tensor operator algebras for many-electron systems: II. One- and two-body matrix elements Journal of Mathematical Chemistry. 13: 273-316. DOI: 10.1007/Bf01165571 |
0.384 |
|
| 1993 |
Li X, Paldus J. Unitary group tensor operator algebras for many-electron systems. III. Matrix elements in U(n1 +n2) ⊃ U(n1) × U(n2) partitioned basis Journal of Mathematical Chemistry. 14: 325-355. DOI: 10.1007/Bf01164475 |
0.353 |
|
| 1993 |
Paldus J, Gould MD. Unitary group approach to reduced density matrices - II. One-electron charge and spin density algebra Theoretica Chimica Acta. 86: 83-96. DOI: 10.1007/Bf01113516 |
0.347 |
|
| 1993 |
Li X, Paldus J. Multiconfigurational spin-adapted single-reference coupled cluster formalism International Journal of Quantum Chemistry. 48: 269-285. DOI: 10.1002/Qua.560480829 |
0.5 |
|
| 1992 |
Jankowski K, Paldus J, Grabowski I, Kowalski K. Applicability of valence‐universal multireference coupled‐cluster theories to quasidegenerate electronic states. I. Models involving at most two‐body amplitudes The Journal of Chemical Physics. 97: 7600-7612. DOI: 10.1063/1.463480 |
0.453 |
|
| 1992 |
Piecuch P, Paldus J. Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation Theoretica Chimica Acta. 83: 69-103. DOI: 10.1007/Bf01113244 |
0.456 |
|
| 1992 |
Piecuch P, Čížek J, Paldus J. Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results International Journal of Quantum Chemistry. 42: 165-191. DOI: 10.1002/Qua.560420111 |
0.486 |
|
| 1992 |
Paldus J, Piecuch P. Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene π‐electron models International Journal of Quantum Chemistry. 42: 135-164. DOI: 10.1002/Qua.560420110 |
0.485 |
|
| 1992 |
Li X, Paldus J. Valence bond approach exploiting Clifford algebra realization of Rumer–Weyl basis International Journal of Quantum Chemistry. 41: 117-146. DOI: 10.1002/Qua.560410112 |
0.403 |
|
| 1992 |
Jankowski K, Paldus J, Grabowski I, Kowalski K. Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states. I. Models involving at most two-body amplitudes The Journal of Chemical Physics. 97: 7600-7612. |
0.42 |
|
| 1991 |
Jankowski K, Paldus J, Wasilewski J. Cluster relations for multireference coupled‐cluster theories: A model study Journal of Chemical Physics. 95: 3549-3561. DOI: 10.1063/1.460857 |
0.423 |
|
| 1991 |
Li X, Paldus J. Valence bond approach to the Pariser-Parr-Pople Hamiltonian and its application to simple π-electron systems Journal of Molecular Structure: Theochem. 229: 249-278. DOI: 10.1016/0166-1280(91)90149-E |
0.469 |
|
| 1991 |
Bajpai N, Sarma CR, Paldus J. Dense indexing scheme for limited configuration-interaction calculations with determinantal basis Journal of Molecular Structure: Theochem. 227: 67-77. DOI: 10.1016/0166-1280(91)85272-9 |
0.369 |
|
| 1991 |
Jankowski K, Paldus J, Piecuch P. Method of moments approach and coupled cluster theory Theoretica Chimica Acta. 80: 223-243. DOI: 10.1007/Bf01117411 |
0.445 |
|
| 1991 |
Piecuch P, Paldus J. On the solution of coupled‐cluster equations in the fully correlated limit of cyclic polyene model International Journal of Quantum Chemistry. 40: 9-34. DOI: 10.1002/Qua.560400807 |
0.352 |
|
| 1991 |
Čížek J, Hashimoto K, Paldus J, Takahashi M. Relationship between Lieb and Wu Approach and Standard Configuration Interaction Method for the B−2u State of the Hubbard Model of Benzene Israel Journal of Chemistry. 31: 423-426. DOI: 10.1002/Ijch.199100048 |
0.388 |
|
| 1991 |
Paldus J, Li X. PPP-VB Theory of π-Electron Systems: Electron Delocalization, Molecular Symmetry, and Resonance Israel Journal of Chemistry. 31: 351-362. DOI: 10.1002/Ijch.199100040 |
0.396 |
|
| 1991 |
Jankowski K, Paldus J, Wasilewski J. Cluster relations for multireference coupled-cluster theories: A model study The Journal of Chemical Physics. 95: 3549-3561. |
0.376 |
|
| 1990 |
Piecuch P, Zarrabian S, Paldus J, Cízek J. Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems. Physical Review. B, Condensed Matter. 42: 3351-3379. PMID 9995850 DOI: 10.1103/Physrevb.42.3351 |
0.476 |
|
| 1990 |
Piecuch P, Zarrabian S, Paldus J, Cizek J. Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. III. Lower bounds to the ground-state correlation energy of cyclic-polyene model systems. Physical Review. A. 42: 5155-5167. PMID 9904642 DOI: 10.1103/Physreva.42.5155 |
0.428 |
|
| 1990 |
Paldus J, Čížek J, Jeziorski B. Coupled cluster approach or quadratic–configuration interaction?: Reply to comment by Pople, Head‐Gordon, and Raghavachari Journal of Chemical Physics. 93: 1485-1486. DOI: 10.1063/1.459164 |
0.395 |
|
| 1990 |
Gould MD, Paldus J, Chandler GS. Unitary group approach to reduced density matrices Journal of Chemical Physics. 93: 4142-4153. DOI: 10.1063/1.458747 |
0.37 |
|
| 1990 |
Gould MD, Paldus J. Spin-dependent unitary group approach. I. General formalism The Journal of Chemical Physics. 92: 7394-7401. DOI: 10.1063/1.458225 |
0.379 |
|
| 1990 |
Avron JE, Adams BG, Čížek J, Clay M, Glasser ML, Otto P, Paldus J, Vrscay E. Bender-Wu Formula, the SO(4,2) Dynamical Group, and the Zeeman Effect in Hydrogen Current Physics–Sources and Comments. 7: 247-249. DOI: 10.1016/B978-0-444-88597-5.50035-1 |
0.366 |
|
| 1990 |
Li X, Paldus J. Unitary group tensor operator algebras for many-electron systems: I. Clebsch-Gordan and Racah coefficients Journal of Mathematical Chemistry. 4: 295-353. DOI: 10.1007/Bf01170018 |
0.349 |
|
| 1990 |
Piecuch P, Paldus J. Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique - I. General orthogonally spin-adapted formalism Theoretica Chimica Acta. 78: 65-128. DOI: 10.1007/Bf01119191 |
0.457 |
|
| 1990 |
Čížek J, Paldus J, Vinette F. Explicit algebraic form of coupled cluster equations for the PPP model of benzene with an approximate inclusion of triexcited clusters International Journal of Quantum Chemistry. 38: 831-851. DOI: 10.1002/Qua.560380606 |
0.422 |
|
| 1990 |
Zarrabian S, Paldus J. Applicability of multi‐reference many‐body perturbation theory to the determination of potential energy surfaces: A model study International Journal of Quantum Chemistry. 38: 761-778. DOI: 10.1002/Qua.560380602 |
0.464 |
|
| 1989 |
Paldus J, Čížek J, Jeziorski B. Coupled cluster approach or quadratic configuration interaction? The Journal of Chemical Physics. 90: 4356-4362. DOI: 10.1063/1.456647 |
0.44 |
|
| 1989 |
Jeziorski B, Paldus J. Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function The Journal of Chemical Physics. 90: 2714-2731. DOI: 10.1063/1.455919 |
0.457 |
|
| 1989 |
Paldus J, Rettrup S, Sarma CR. Clifford algebra realization of Rumer-Weyl basis Journal of Molecular Structure: Theochem. 199: 85-101. DOI: 10.1016/0166-1280(89)80044-2 |
0.375 |
|
| 1989 |
Zarrabian S, Sarma CR, Paldus J. Vectorizable approach to molecular CI problems using determinantal basis Chemical Physics Letters. 155: 183-188. DOI: 10.1016/0009-2614(89)85346-1 |
0.342 |
|
| 1989 |
Piecuch P, Paldus J. Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation International Journal of Quantum Chemistry. 36: 429-453. DOI: 10.1002/Qua.560360402 |
0.431 |
|
| 1989 |
Li X, Paldus J. Explicit representation of Gel'fand–Tsetlin states in clifford algebra unitary group approach International Journal of Quantum Chemistry. 36: 127-140. DOI: 10.1002/Qua.560360205 |
0.354 |
|
| 1989 |
Sarma CR, Paldus J, Öhrn Y. Spin adaptation of antisymmetrized geminal product wave functions International Journal of Quantum Chemistry. 36: 35-48. DOI: 10.1002/Qua.560360106 |
0.349 |
|
| 1988 |
Paldus J, Wormer PES, Benard M. Coupled-pair theories and Davidson-type corrections for quasidegenerate states: the H4 model revisited Collection of Czechoslovak Chemical Communications. 53: 1919-1942. DOI: 10.1135/Cccc19881919 |
0.356 |
|
| 1988 |
Jeziorski B, Paldus J. Spin‐adapted multireference coupled‐cluster approach: Linear approximation for two closed‐shell‐type reference configurations Journal of Chemical Physics. 88: 5673-5687. DOI: 10.1063/1.454528 |
0.4 |
|
| 1988 |
Adams BG, Čížek J, Paldus J. Lie Algebraic Methods and Their Applications to Simple Quantum Systems Advances in Quantum Chemistry. 19: 1-85. DOI: 10.1016/S0065-3276(08)60613-9 |
0.315 |
|
| 1988 |
Paldus J, Jeziorski B. Clifford algebra and unitary group formulations of the many-electron problem Theoretica Chimica Acta. 73: 81-103. DOI: 10.1007/Bf00528196 |
0.429 |
|
| 1988 |
Hashimoto K, Čížek J, Paldus J. Convergence radii of the perturbation expansions for the ground‐state energies of finite Hubbard models International Journal of Quantum Chemistry. 34: 407-415. DOI: 10.1002/Qua.560340502 |
0.374 |
|
| 1988 |
Jeziorski B, Paldus J. Spin-adapted multireference coupled-cluster approach: Linear approximation for two closed-shell-type reference configurations The Journal of Chemical Physics. 88: 5673-5687. |
0.39 |
|
| 1987 |
Paldus J, Gao MJ, Chen JQ. Clifford algebra unitary-group approach to many-electron system partitioning Physical Review A. 35: 3197-3217. DOI: 10.1103/Physreva.35.3197 |
0.369 |
|
| 1987 |
Gould MD, Paldus J. Parastatistics and the Clifford algebra unitary group approach to the many-electron correlation problem Journal of Mathematical Physics. 28: 2304-2309. DOI: 10.1063/1.527762 |
0.316 |
|
| 1987 |
Gao MJ, Chen JQ, Paldus J. Point group symmetry adaptation in clifford algebra unitary group approach International Journal of Quantum Chemistry. 32: 133-147. DOI: 10.1002/Qua.560320112 |
0.341 |
|
| 1986 |
Cízek J, Damburg RJ, Graffi S, Grecchi V, Harrell EM, Harris JG, Nakai S, Paldus J, Propin RK, Silverstone HJ. 1/R expansion for H2 +: Calculation of exponentially small terms and asymptotics. Physical Review. A. 33: 12-54. PMID 9896581 DOI: 10.1103/Physreva.33.12 |
0.338 |
|
| 1986 |
Katriel J, Paldus J, Pauncz R. Generalized dirac identities and explicit relations between the permutational symmetry and the spin operators for systems of identical particles International Journal of Quantum Chemistry. 29: 171-171. DOI: 10.1002/Qua.560280203 |
0.328 |
|
| 1985 |
Silverstone HJ, Harris JG, Cízek J, Paldus J. Asymptotics of high-order perturbation theory for the one-dimensional anharmonic oscillator by quasisemiclassical methods. Physical Review. A. 32: 1965-1980. PMID 9896308 DOI: 10.1103/Physreva.32.1965 |
0.326 |
|
| 1985 |
Paldus J, Čížek J. Hartree–Fock stability and symmetry breaking: oxygen doubly negative ion Canadian Journal of Chemistry. 63: 1803-1811. DOI: 10.1139/V85-301 |
0.334 |
|
| 1985 |
Bénard M, Laidlaw WG, Paldus J. Hartree–Fock instabilities in the trisulphur–trinitride anion Canadian Journal of Chemistry. 63: 1797-1802. DOI: 10.1139/V85-300 |
0.359 |
|
| 1985 |
Paldus J, Čížek J. Comment: On the derivation of coupled cluster equations Canadian Journal of Physics. 63: 151-153. DOI: 10.1139/P85-024 |
0.397 |
|
| 1985 |
Takahashi M, Paldus J. Coupled-cluster approach to electron correlation in one dimension. II. Cyclic polyene model in localized basis Physical Review B. 31: 5121-5142. DOI: 10.1103/Physrevb.31.5121 |
0.479 |
|
| 1985 |
Takahashi M, Paldus J. Time-dependent coupled cluster approach: Excitation energy calculation using an orthogonally spin-adapted formalism The Journal of Chemical Physics. 85: 1486-1501. DOI: 10.1063/1.451241 |
0.504 |
|
| 1985 |
Paldus J, Sarma CR. Clifford algebra unitary group approach to many-electron correlation problem The Journal of Chemical Physics. 83: 5135-5152. DOI: 10.1063/1.449726 |
0.357 |
|
| 1985 |
Koutecký J, Paldus J, Čižek J. Alternancy symmetry: A unified viewpoint The Journal of Chemical Physics. 83: 1722-1735. DOI: 10.1063/1.449359 |
0.404 |
|
| 1985 |
Wilson S, Jankowski K, Paldus J. Applicability of nondegenerate many‐body perturbation theory to quasi‐degenerate electronic states. II. A two‐state model International Journal of Quantum Chemistry. 28: 525-534. DOI: 10.1002/Qua.560280409 |
0.396 |
|
| 1985 |
Takahashi M, Paldus J. Bond length alternation in cyclic polyenes. VI. Coupled cluster approach with wannier orbital basis International Journal of Quantum Chemistry. 28: 459-479. DOI: 10.1002/Qua.560280405 |
0.496 |
|
| 1984 |
Paldus J, Takahashi M, Cho RWH. Coupled-cluster approach to electron correlation in one dimension: Cyclic polyene model in delocalized basis Physical Review B. 30: 4267-4291. DOI: 10.1103/PhysRevB.30.4267 |
0.393 |
|
| 1984 |
Paldus J, Cízek J, Takahashi M. Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory Physical Review A. 30: 2193-2209. DOI: 10.1103/Physreva.30.2193 |
0.483 |
|
| 1984 |
Laforgue A, Čížek J, Paldus J, Pellégatti A. Trigonometric polynomial interpolation of quantum mechanical properties by mutual perturbation approach The Journal of Chemical Physics. 80: 372-379. DOI: 10.1063/1.446458 |
0.346 |
|
| 1984 |
Paldus J, Takahashi M, Cho BWH. Degeneracy and coupled‐cluster approaches International Journal of Quantum Chemistry. 26: 237-244. DOI: 10.1002/Qua.560260824 |
0.328 |
|
| 1984 |
Takahashi M, Paldus J. Bond length alternation in cyclic polyenes. V. Local finite‐order perturbation theory approach International Journal of Quantum Chemistry. 26: 349-371. DOI: 10.1002/Qua.560250212 |
0.398 |
|
| 1983 |
Koutecký J, Döhnert D, Wormer PES, Paldus J, Člžek J. Spin properties of radicaloid alternant hydrocarbons. Exact solutions for representative Pariser-Parr-Pople model systems The Journal of Chemical Physics. 80: 2244-2246. DOI: 10.1063/1.446923 |
0.328 |
|
| 1983 |
Takahashi M, Paldus J, Čížek J. Perturbation theory and electron correlation in extended systems: Cyclic polyene model International Journal of Quantum Chemistry. 24: 707-727. DOI: 10.1002/Qua.560240614 |
0.42 |
|
| 1983 |
Pauncz R, Paldus J. Bond length alternation in cyclic polyenes. III. Alternant molecular orbital method International Journal of Quantum Chemistry. 24: 411-423. DOI: 10.1002/Qua.560240407 |
0.417 |
|
| 1983 |
Paldus J, Chin E. Bond length alternation in cyclic polyenes. I. Restricted Hartree–Fock method International Journal of Quantum Chemistry. 24: 373-394. DOI: 10.1002/Qua.560240405 |
0.384 |
|
| 1983 |
Wilson S, Janmkowski K, Paldus J. Applicability of non‐degenerate many‐body perturbation theory to quasidegenerate electronic states: A model study International Journal of Quantum Chemistry. 23: 1781-1802. DOI: 10.1002/Qua.560230508 |
0.434 |
|
| 1982 |
Paldus J, Wormer PES, Visser F, Van Der Avoird A. Relationship between configuration interaction and coupled cluster approaches The Journal of Chemical Physics. 76: 2458-2470. DOI: 10.1063/1.443275 |
0.446 |
|
| 1982 |
Wormer PES, Visser F, Paldus J. Conjugate gradient method for the solution of linear equations: Application to molecular electronic structure calculations Journal of Computational Physics. 48: 23-44. DOI: 10.1016/0021-9991(82)90033-X |
0.366 |
|
| 1982 |
Paldus J, Boyle MJ. Cluster analysis of the full configuration interaction wave functions of cyclic polyene models International Journal of Quantum Chemistry. 22: 1281-1305. DOI: 10.1002/Qua.560220611 |
0.433 |
|
| 1982 |
Adams BG, Čížek J, Paldus J. Representation theory of so(4,2) for the perturbation treatment of hydrogenic‐type hamiltonians by algebraic methods International Journal of Quantum Chemistry. 21: 153-171. DOI: 10.1002/Qua.560210112 |
0.337 |
|
| 1982 |
Pellegatti A, Čížek J, Paldus J. Numerical estimates of the convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule International Journal of Quantum Chemistry. 21: 147-151. DOI: 10.1002/Qua.560210111 |
0.346 |
|
| 1981 |
Adams BG, Jankowski K, Paldus J. Symmetry-adapted coupled-pair approach to the many-electron correlation problem. III. Approximate coupled-pair approaches for the Be atom Physical Review A. 24: 2330-2338. DOI: 10.1103/Physreva.24.2330 |
0.488 |
|
| 1981 |
Adams BG, Jankowski K, Paldus J. Symmetry-adapted coupled-pair approach to the many-electron correlation problem. II. Application to the Be atom Physical Review A. 24: 2316-2329. DOI: 10.1103/Physreva.24.2316 |
0.496 |
|
| 1981 |
Adams BG, Paldus J. Symmetry-adapted coupled-pair approach to the many-electron correlation problem. I. LS-adapted theory for closed-shell atoms Physical Review A. 24: 2302-2315. DOI: 10.1103/Physreva.24.2302 |
0.472 |
|
| 1980 |
Paldus J, Boyle MJ. Particle-hole formulation of the unitary group approach to the many-electron correlation problem. I. State construction and classification Physical Review A. 22: 2299-2315. DOI: 10.1103/Physreva.22.2299 |
0.323 |
|
| 1980 |
Čižek J, Adams BG, Paldus J. The use of algebraic methods in perturbation theory Physica Scripta. 21: 364-365. DOI: 10.1088/0031-8949/21/3-4/021 |
0.316 |
|
| 1980 |
Paldus J, Boyle MJ. Unitary Group Approach to the Many-Electron Correlation Problem via Graphical Methods of Spin Algebras Physica Scripta. 21: 295-311. DOI: 10.1088/0031-8949/21/3-4/012 |
0.409 |
|
| 1980 |
Cizek J, Paldus J. Coupled Cluster Approach Physica Scripta. 21: 251-254. DOI: 10.1088/0031-8949/21/3-4/006 |
0.422 |
|
| 1980 |
Bénard M, Paldus J. Stability of Hartree–Fock solutions and symmetry breaking in the independent particle model: Ab initio case study of the LCAO–MO–SCF solutions for finite chains of hydrogen atoms Journal of Chemical Physics. 72: 6546-6559. DOI: 10.1063/1.439112 |
0.358 |
|
| 1980 |
Jankowski K, Paldus J. Applicability of coupled‐pair theories to quasidegenerate electronic states: A model study International Journal of Quantum Chemistry. 18: 1243-1269. DOI: 10.1002/Qua.560180511 |
0.468 |
|
| 1980 |
Wormer PES, Paldus J. Configuration interaction matrix elements. III. Spin functions relating the unitary and symmetric group approaches International Journal of Quantum Chemistry. 18: 841-866. DOI: 10.1002/Qua.560180317 |
0.339 |
|
| 1979 |
Avron JE, Adams BG, Čížek J, Clay M, Glasser ML, Otto P, Paldus J, Vrscay E. Bender-Wu formula, the SO(4,2) dynamical group, and the Zeeman effect in hydrogen Physical Review Letters. 43: 691-693. DOI: 10.1103/Physrevlett.43.691 |
0.362 |
|
| 1979 |
Adams BG, Paldus J. Orthogonally-spin-adapted coupled-cluster theory for closed-shell systems including triexcited clusters Physical Review A. 20: 1-17. DOI: 10.1103/Physreva.20.1 |
0.477 |
|
| 1979 |
Adams BG, Jankowski K, Paldus J. Quasi-degeneracy and coupled-pair theories Chemical Physics Letters. 67: 144-148. DOI: 10.1016/0009-2614(79)87124-9 |
0.403 |
|
| 1979 |
Wormer PES, Paldus J. Configuration interaction matrix elements. I. Algebraic approach to the relationship between unitary group generators and permutations International Journal of Quantum Chemistry. 16: 1307-1319. DOI: 10.1002/Qua.560160610 |
0.384 |
|
| 1979 |
Saute M, Paldus J, C̆íz̆ek J. Correlation problems in atomic and molecular systems. VII. Application of the open‐shell coupled‐cluster approach to simple π‐electron model systems International Journal of Quantum Chemistry. 15: 463-479. DOI: 10.1002/Qua.560150503 |
0.476 |
|
| 1978 |
Paldus J, Wormer PES. Calculation of permutation matrices using graphical methods of spin algebras: Explicit expressions for the Serber-coupling case Physical Review A. 18: 827-840. DOI: 10.1103/Physreva.18.827 |
0.408 |
|
| 1978 |
Paldus J, Čížek J, Saute M, Laforgue A. Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems Physical Review A. 17: 805-815. DOI: 10.1103/Physreva.17.805 |
0.486 |
|
| 1978 |
Paldus J, Veillard A. Doublet stability of ab initio scf solutions for the allyl radical Molecular Physics. 35: 445-459. DOI: 10.1080/00268977800100331 |
0.351 |
|
| 1978 |
Paldus J, Čížk J, Laforgue A. The relationship between the unrestricted and projected Hartree–Fock methods in a simple three‐electron model system International Journal of Quantum Chemistry. 13: 41-65. DOI: 10.1002/Qua.560130105 |
0.339 |
|
| 1977 |
Paldus J. Correlation problems in atomic and molecular systems. V. Spin‐adapted coupled cluster many‐electron theory Journal of Chemical Physics. 67: 303-318. DOI: 10.1063/1.434526 |
0.464 |
|
| 1977 |
Paldus J, Veillard A. A remark on doublet stability of allyl radical restricted SCF solutions Chemical Physics Letters. 50: 6-8. DOI: 10.1016/0009-2614(77)80668-4 |
0.32 |
|
| 1977 |
Čížek J, Paldus J. An algebraic approach to bound states of simple one‐electron systems International Journal of Quantum Chemistry. 12: 875-896. DOI: 10.1002/Qua.560120510 |
0.395 |
|
| 1977 |
Adams BG, Paldus J, Čížek J. Application of graphical methods of spin algebras to limited CI approaches. II. A simple open shell case International Journal of Quantum Chemistry. 11: 849-867. DOI: 10.1002/Qua.560110512 |
0.401 |
|
| 1977 |
Paldus J, Adams BG, Čížek J. Application of graphical methods of spin algebras to limited CI approaches. I. Closed shell case International Journal of Quantum Chemistry. 11: 813-848. DOI: 10.1002/Qua.560110511 |
0.422 |
|
| 1976 |
Paldus J. Unitary-group approach to the many-electron correlation problem: Relation of Gelfand and Weyl tableau formulations Physical Review A. 14: 1620-1625. DOI: 10.1103/Physreva.14.1620 |
0.309 |
|
| 1975 |
Paldus J, čížek J. Time-Independent Diagrammatic Approach to Perturbation Theory of Fermion Systems Advances in Quantum Chemistry. 9: 105-197. DOI: 10.1016/S0065-3276(08)60040-4 |
0.417 |
|
| 1975 |
ČÍŽek J, Pellégatti A, Paldus J. Correlation effects in the PPP model of alternant π‐electronic systems: two‐point Padé approximant approach International Journal of Quantum Chemistry. 9: 987-1007. DOI: 10.1002/Qua.560090607 |
0.422 |
|
| 1974 |
Paldus J. Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systems Journal of Chemical Physics. 61: 5321-5330. DOI: 10.1063/1.1681883 |
0.371 |
|
| 1974 |
Pellégatti A, Čížek J, Paldus J. Convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of the Pariser‐Parr‐Pople model of the benzene molecule Journal of Chemical Physics. 60: 4825-4829. DOI: 10.1063/1.1680988 |
0.373 |
|
| 1974 |
Čížek J, Paldus J, Hubač I. Correlation effects in the low–lying excited states of the PPP models of alternant hydrocarbons. I. Qualitative rules for the effect of limited configuration interaction International Journal of Quantum Chemistry. 8: 951-970. DOI: 10.1002/Qua.560080610 |
0.408 |
|
| 1974 |
Pellegatti A, Cizek J, Paldus J. Convergence Of The Rayleigh-Schroedinger Perturbation Expansions For The Energy Levels Of The Pariser-Parr-Pople Model Of The Benzene Molecule Cheminform. 5. DOI: 10.1002/Chin.197440103 |
0.319 |
|
| 1973 |
Laforgue A, Čížek J, Paldus J. Study of the correlation effects in a three‐electron model system using the projected Hartree‐Fock method and the natural spin orbital formalism Journal of Chemical Physics. 59: 2560-2571. DOI: 10.1063/1.1680372 |
0.389 |
|
| 1972 |
Paldus J, Íek J, Shavitt I. Correlation problems in atomic and molecular systems. IV. Extended coupled-pair many-electron theory and its application to the BH3 molecule Physical Review A. 5: 50-67. DOI: 10.1103/Physreva.5.50 |
0.502 |
|
| 1972 |
Paldus J, Sengupta S, Čížek J. Diagrammatical Method for Geminals. II. Applications Journal of Chemical Physics. 57: 652-666. DOI: 10.1063/1.1678297 |
0.361 |
|
| 1972 |
Paldus J. Diagrammatical Method for Geminals. I. Theory Journal of Chemical Physics. 57: 638-651. DOI: 10.1063/1.1678296 |
0.36 |
|
| 1971 |
Paldus J, Čížek J, Šroubková L. Full configuration interaction for the π-electronic model of benzene. II. Correlation energy and low lying singlet excitation energies Collection of Czechoslovak Chemical Communications. 36: 618-624. DOI: 10.1135/Cccc19710618 |
0.338 |
|
| 1971 |
Čížek J, Paldus J, Šroubková L, Vojtík J. Full configuration interaction for the π-electronic model of benzene. I. General expressions for singlets Collection of Czechoslovak Chemical Communications. 36: 599-617. DOI: 10.1135/Cccc19710599 |
0.332 |
|
| 1971 |
Paldus J, Čížek J, Sengupta S. Geminal Localization in the Separated-Pair π-Electronic Model of Benzene Journal of Chemical Physics. 55: 2452-2462. DOI: 10.1063/1.1676433 |
0.388 |
|
| 1971 |
Čižek J, Paldus J. Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst†‡§ International Journal of Quantum Chemistry. 5: 359-379. DOI: 10.1002/Qua.560050402 |
0.431 |
|
| 1970 |
Paldus J, ČiŽek J. Stability Conditions for the Solutions of the Hartree-Fock Equations for Atomic and Molecular Systems. VI. Singlet-Type Instabilities and Charge-Density-Wave Hartree-Fock Solutions for Cyclic Polyenes Physical Review A. 2: 2268-2283. DOI: 10.1103/Physreva.2.2268 |
0.305 |
|
| 1970 |
Paldus J, Čĺžzek J. Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. II. Simple Open‐Shell Case Journal of Chemical Physics. 52: 2919-2936. DOI: 10.1063/1.1673419 |
0.373 |
|
| 1969 |
Paldus J, C̆ížek J. Stability conditions for the solutions of the Hartree-Fock equations for the simple open-shell case Chemical Physics Letters. 3: 1-3. DOI: 10.1016/0009-2614(69)80001-1 |
0.345 |
|
| 1969 |
Čížek J, Paldus J, Šroubková L. Cluster expansion analysis for delocalized systems International Journal of Quantum Chemistry. 3: 149-167. DOI: 10.1002/Qua.560030202 |
0.447 |
|
| 1966 |
Polák R, Paldus J. An ab initio model calculation of the π and σ electronic structure of the ethylene molecule Theoretical Chemistry Accounts. 5: 422-434. DOI: 10.1007/Bf00527045 |
0.395 |
|
| 1966 |
Polák R, Paldus J. Generalized Hückel treatment of a simple model of transannular interaction and excimer formation Theoretical Chemistry Accounts. 4: 37-43. DOI: 10.1007/Bf00526009 |
0.38 |
|
| 1963 |
Koutecky J, Paldus J. Quantum chemical studies on transannular interaction Tetrahedron. 19: 201-221. DOI: 10.1016/S0040-4020(63)80017-4 |
0.39 |
|
| 1963 |
Koutecký J, Paldus J. A study of interaction of two ethylene molecules by the semiempirical complete configuration interaction method in π-electron approximation Theoretical Chemistry Accounts. 1: 268-281. DOI: 10.1007/Bf00526879 |
0.386 |
|
| Show low-probability matches. |