| Year |
Citation |
Score |
| 2017 |
Kumar A, Thakkar AJ. Constrained dipole oscillator strength distributions, sum rules, and dispersion coefficients for Br 2 and BrCN Chemical Physics Letters. 672: 31-33. DOI: 10.1016/J.Cplett.2017.01.053 |
0.362 |
|
| 2016 |
Thakkar AJ. Construction of Constrained Dipole Oscillator Strength Distributions Zeitschrift FüR Physikalische Chemie. 230. DOI: 10.1515/Zpch-2015-0693 |
0.326 |
|
| 2016 |
Kumar A, Thakkar AJ. Dipole properties of PH 3, PF 3, PF 5, PCl 3, SiCl 4, GeCl 4, and SnCl 4 Molecular Physics. 114: 1657-1663. DOI: 10.1080/00268976.2016.1143568 |
0.344 |
|
| 2016 |
Kalugina YN, Thakkar AJ. Ab initio calculations of static dipole polarizabilities and Cauchy moments for the halomethanes, CHmClnF4-m-n Chemical Physics Letters. 644: 20-24. DOI: 10.1016/J.Cplett.2015.11.044 |
0.325 |
|
| 2015 |
Thakkar AJ, Wu T. How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations? The Journal of Chemical Physics. 143: 144302. PMID 26472374 DOI: 10.1063/1.4932594 |
0.394 |
|
| 2015 |
Kalugina YN, Thakkar AJ. On the dipole polarisability and dipole sum rules of ozone Molecular Physics. DOI: 10.1080/00268976.2015.1059513 |
0.365 |
|
| 2015 |
Wu T, Kalugina YN, Thakkar AJ. Choosing a density functional for static molecular polarizabilities Chemical Physics Letters. 635: 257-261. DOI: 10.1016/J.Cplett.2015.07.003 |
0.418 |
|
| 2015 |
Kalugina YN, Thakkar AJ. Electric properties of stannous and stannic halides: How good are the experimental values? Chemical Physics Letters. 626: 69-72. DOI: 10.1016/J.Cplett.2015.02.052 |
0.357 |
|
| 2014 |
Blair SA, Thakkar AJ. Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties. The Journal of Chemical Physics. 141: 074306. PMID 25149785 DOI: 10.1063/1.4893178 |
0.415 |
|
| 2014 |
Blair SA, Thakkar AJ. Molecular size from moments of the momentum density Chemical Physics Letters. 609: 113-116. DOI: 10.1016/J.Cplett.2014.06.035 |
0.366 |
|
| 2014 |
Blair SA, Thakkar AJ. TABS: A database of molecular structures Computational and Theoretical Chemistry. 1043: 13-16. DOI: 10.1016/J.Comptc.2014.05.010 |
0.399 |
|
| 2013 |
Kazachenko S, Bulusu S, Thakkar AJ. Methanol clusters (CH3OH)n: putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory. The Journal of Chemical Physics. 138: 224303. PMID 23781791 DOI: 10.1063/1.4809528 |
0.378 |
|
| 2013 |
Kazachenko S, Thakkar AJ. Water nanodroplets: predictions of five model potentials. The Journal of Chemical Physics. 138: 194302. PMID 23697413 DOI: 10.1063/1.4804399 |
0.308 |
|
| 2013 |
Thakkar AJ. Small clusters of formic acid: Tests and applications of density functional theory with dispersion-correcting potentials Chemical Physics Letters. 560: 71-74. DOI: 10.1016/J.Cplett.2013.01.010 |
0.347 |
|
| 2013 |
Blair SA, Thakkar AJ. How often is the minimum polarizability principle violated? Chemical Physics Letters. 556: 346-349. DOI: 10.1016/J.Cplett.2012.11.048 |
0.391 |
|
| 2013 |
Thakkar AJ, Mc Carthy SP. Electron and electron-pair number and momentum densities for low-lying states of he, h-, and li+ Advances in Quantum Chemistry. 67: 19-54. DOI: 10.1016/B978-0-12-411544-6.00002-9 |
0.438 |
|
| 2012 |
McCarthy SP, Thakkar AJ. When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br. The Journal of Chemical Physics. 136: 054107. PMID 22320725 DOI: 10.1063/1.3679969 |
0.703 |
|
| 2012 |
Hohm U, Thakkar AJ. New relationships connecting the dipole polarizability, radius, and second ionization potential for atoms. The Journal of Physical Chemistry. A. 116: 697-703. PMID 22098409 DOI: 10.1021/Jp2094438 |
0.343 |
|
| 2011 |
Kumar A, Thakkar AJ. Ozone: unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficients. The Journal of Chemical Physics. 135: 074303. PMID 21861566 DOI: 10.1063/1.3626523 |
0.343 |
|
| 2011 |
McCarthy SP, Thakkar AJ. Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energies. The Journal of Chemical Physics. 134: 044102. PMID 21280682 DOI: 10.1063/1.3547262 |
0.713 |
|
| 2011 |
Kumar A, Thakkar AJ. Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C60 Chemical Physics Letters. 516: 208-211. DOI: 10.1016/J.Cplett.2011.09.080 |
0.378 |
|
| 2011 |
Koga T, Matsuyama H, Thakkar AJ. Interelectronic angles: Rounding out a geometric picture of the helium atom Chemical Physics Letters. 512: 287-289. DOI: 10.1016/J.Cplett.2011.07.047 |
0.336 |
|
| 2011 |
McCarthy SP, Thakkar AJ. Electron-pair extracule densities for low-lying excited states of He and Li+ International Journal of Quantum Chemistry. 111: 753-759. DOI: 10.1002/Qua.22727 |
0.709 |
|
| 2010 |
Kumar A, Thakkar AJ. Dipole oscillator strength distributions with improved high-energy behavior: dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited. The Journal of Chemical Physics. 132: 074301. PMID 20170221 DOI: 10.1063/1.3315418 |
0.42 |
|
| 2010 |
Chattaraj PK, Thakkar AJ. Conceptual aspects of electron densities and density functionals Journal of Molecular Structure: Theochem. 943: 1. DOI: 10.1016/J.Theochem.2010.01.025 |
0.358 |
|
| 2010 |
Blair SA, Thakkar AJ. How many intramolecular hydrogen bonds does the oxalic acid dimer have? Chemical Physics Letters. 495: 198-202. DOI: 10.1016/J.Cplett.2010.07.019 |
0.385 |
|
| 2010 |
McCarthy SP, Thakkar AJ. Simple models for electron correlation energies in atoms Chemical Physics Letters. 494: 312-314. DOI: 10.1016/J.Cplett.2010.05.095 |
0.696 |
|
| 2010 |
McDowell SAC, Thakkar AJ. A simple model of hydrogen bonding with particular application to trends in hydrogen-bonded dimers International Journal of Quantum Chemistry. 110: 1506-1513. DOI: 10.1002/Qua.22288 |
0.323 |
|
| 2009 |
Thakkar AJ, McCarthy SP. Toward improved density functionals for the correlation energy. The Journal of Chemical Physics. 131: 134109. PMID 19814545 DOI: 10.1063/1.3243845 |
0.698 |
|
| 2009 |
Blair SA, McDowell SAC, Thakkar AJ. Can periodane accommodate neon? Journal of Molecular Structure: Theochem. 900: 55-58. DOI: 10.1016/J.Theochem.2008.12.036 |
0.328 |
|
| 2009 |
Kassimi NEB, Thakkar AJ. A simple additive model for polarizabilities: Application to amino acids Chemical Physics Letters. 472: 232-236. DOI: 10.1016/J.Cplett.2009.03.016 |
0.323 |
|
| 2009 |
Thakkar AJ, Pedersen WA. Maclaurin expansions of the electron momentum densities of linear molecules International Journal of Quantum Chemistry. 36: 245-253. DOI: 10.1002/Qua.560360828 |
0.427 |
|
| 2008 |
Blair SA, Thakkar AJ. Structural characteristics of formic acid dodecamers, (HCOOH)12 Chemical Physics Letters. 450: 258-262. DOI: 10.1016/J.Cplett.2007.11.050 |
0.366 |
|
| 2007 |
Katriel J, Bauer M, Springborg M, McCarthy SP, Thakkar AJ. Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems. The Journal of Chemical Physics. 127: 024101. PMID 17640113 DOI: 10.1063/1.2747242 |
0.704 |
|
| 2007 |
Roy AK, Hart JR, Thakkar AJ. Clusters of glycolic acid and 16 water molecules Chemical Physics Letters. 434: 176-181. DOI: 10.1016/J.Cplett.2006.12.010 |
0.65 |
|
| 2006 |
Lupinetti C, Thakkar AJ. Polarizabilities of the alkali anions: Li- to Fr-. The Journal of Chemical Physics. 125: 194317. PMID 17129113 DOI: 10.1063/1.2393225 |
0.342 |
|
| 2006 |
Karpfen A, Thakkar AJ. Does the most stable formic acid tetramer have pi stacking or C-H...O interactions? The Journal of Chemical Physics. 124: 224313. PMID 16784280 DOI: 10.1063/1.2209687 |
0.389 |
|
| 2006 |
Proynov EI, Thakkar AJ. Is combining meta-GGA correlation functional with the OPTX exchange functional useful? International Journal of Quantum Chemistry. 106: 436-446. DOI: 10.1002/Qua.20758 |
0.375 |
|
| 2005 |
Roy AK, Hu S, Thakkar AJ. Clusters of glycolic acid with three to six water molecules. The Journal of Chemical Physics. 122: 074313. PMID 15743238 DOI: 10.1063/1.1851974 |
0.652 |
|
| 2005 |
Lupinetti C, Thakkar AJ. Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations. The Journal of Chemical Physics. 122: 44301. PMID 15740242 DOI: 10.1063/1.1834512 |
0.317 |
|
| 2005 |
Roy AK, Thakkar AJ, Deb BM. Low-lying states of two-dimensional double-well potentials Journal of Physics a: Mathematical and General. 38: 2189-2199. DOI: 10.1088/0305-4470/38/10/010 |
0.645 |
|
| 2005 |
Hart JR, Thakkar AJ. Nitric acid dimers Journal of Molecular Structure: Theochem. 714: 217-220. DOI: 10.1016/J.Theochem.2004.11.014 |
0.396 |
|
| 2005 |
Roy AK, Thakkar AJ. Pentamers of formic acid Chemical Physics. 312: 119-126. DOI: 10.1016/J.Chemphys.2004.11.030 |
0.65 |
|
| 2005 |
Thakkar AJ. Electronic structure: The momentum perspective Theory and Applications of Computational Chemistry. 483-505. DOI: 10.1016/B978-044451719-7/50062-7 |
0.302 |
|
| 2005 |
Hart JR, Thakkar AJ. Moments of the electron momentum density: Requirements for ab initio and density functional theory calculations International Journal of Quantum Chemistry. 102: 673-683. DOI: 10.1002/Qua.20444 |
0.426 |
|
| 2004 |
Doerksen RJ, Steeves VJ, Thakkar AJ. Are polarizabilities useful as aromaticity indices? Tests on azines, azoles, oxazoles and thiazoles Journal of Computational Methods in Sciences and Engineering. 4: 427-438. DOI: 10.3233/Jcm-2004-4318 |
0.322 |
|
| 2004 |
Koga T, Yoshida T, Thakkar AJ. Are quasi-relativistic kinetic energies useful? Journal of Molecular Structure: Theochem. 711: 209-211. DOI: 10.1016/J.Theochem.2004.09.024 |
0.424 |
|
| 2004 |
Roy AK, Thakkar AJ. Formic acid tetramers: A structural study Chemical Physics Letters. 393: 347-354. DOI: 10.1016/J.Cplett.2004.06.067 |
0.66 |
|
| 2004 |
Thakkar AJ, Kassimi NEB, Hu S. Hydrogen-bonded complexes of glycolic acid with one and two water molecules Chemical Physics Letters. 387: 142-148. DOI: 10.1016/J.Cplett.2004.02.012 |
0.339 |
|
| 2004 |
Roy AK, Thakkar AJ. Structures of the formic acid trimer Chemical Physics Letters. 386: 162-168. DOI: 10.1016/J.Cplett.2004.01.031 |
0.669 |
|
| 2003 |
Cann NM, Thakkar AJ. Generalized oscillator strengths for electronic excitation from the 21S and 23S metastable states of the helium atom Journal of Electron Spectroscopy and Related Phenomena. 129: 9-26. DOI: 10.1016/S0368-2048(03)00011-2 |
0.354 |
|
| 2003 |
Thakkar AJ. Interelectronic counter-balance and coalescence densities for the n 1S (n < 7) states of the helium isoelectronic sequence Journal of Molecular Structure: Theochem. 633: 257-262. DOI: 10.1016/S0166-1280(03)00281-1 |
0.409 |
|
| 2003 |
Thakkar AJ. Accurate electron-pair, momentum-space properties for the helium atom Chemical Physics Letters. 381: 80-85. DOI: 10.1016/J.Cplett.2003.09.105 |
0.423 |
|
| 2003 |
Thakkar AJ, Koga T. Variational calculations for helium-like ions using generalized Kinoshita-type expansions Theoretical Chemistry Accounts. 109: 36-39. DOI: 10.1007/S00214-002-0407-1 |
0.38 |
|
| 2002 |
Cann NM, Thakkar AJ. First Born differential cross-sections for electronic excitation in the helium atom Journal of Electron Spectroscopy and Related Phenomena. 123: 143-159. DOI: 10.1016/S0368-2048(02)00016-6 |
0.403 |
|
| 2002 |
ElBakali-Kassimi N, Archibong EF, Thakkar AJ. Hydrogen bonding in the glycolic acid dimer Journal of Molecular Structure: Theochem. 591: 189-197. DOI: 10.1016/S0166-1280(02)00240-3 |
0.367 |
|
| 2002 |
Roy AK, Thakkar AJ. MacLaurin expansions of electron momentum densities for 78 diatomic molecules: A numerical Hartree-Fock study Chemical Physics Letters. 362: 428-434. DOI: 10.1016/S0009-2614(02)01101-6 |
0.696 |
|
| 2002 |
Doerksen RJ, Thakkar AJ. Bond orders in heteroaromatic rings International Journal of Quantum Chemistry. 90: 534-540. DOI: 10.1002/Qua.998 |
0.303 |
|
| 2001 |
Thakkar AJ. Topography of the Electron Momentum Density in Linear Molecules Zeitschrift FüR Physikalische Chemie. 215. DOI: 10.1524/Zpch.2001.215.10.1265 |
0.381 |
|
| 2001 |
Thakkar AJ, Das AK. Anisotropic polarizabilities and hyperpolarizabilities of second-period cations Journal of Molecular Structure: Theochem. 547: 233-238. DOI: 10.1016/S0166-1280(01)00480-8 |
0.388 |
|
| 2001 |
Thakkar AJ, Sharma BS. A fresh look at the computation of spherically averaged electron momentum densities for wave functions built from Gaussian-type functions International Journal of Quantum Chemistry. 85: 258-262. DOI: 10.1002/Qua.1520 |
0.451 |
|
| 2000 |
Thakkar A, Sharma B. Electron momentum densities near zero-momentum Journal of Molecular Structure: Theochem. 527: 221-227. DOI: 10.1016/S0166-1280(00)00495-4 |
0.369 |
|
| 2000 |
Koga T, Kanayama K, Watanabe T, Imai T, Thakkar AJ. Analytical Hartree-Fock wave functions for the atoms Cs to Lr Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 104: 411-413. DOI: 10.1007/S002140000150 |
0.357 |
|
| 1999 |
Koga T, Matsuyama H, Romera E, Dehesa JS, Thakkar AJ. Electron-momentum densities of singly charged ions Physical Review a - Atomic, Molecular, and Optical Physics. 59: 4805-4808. DOI: 10.1103/Physreva.59.4805 |
0.314 |
|
| 1999 |
Koga T, Matsuyama H, Dehesa JS, Thakkar AJ. Electron-pair densities of group 14, 15, and 16 atoms in their low-lying multiplet states Journal of Chemical Physics. 110: 5763-5771. DOI: 10.1063/1.478475 |
0.411 |
|
| 1999 |
Doerksen RJ, Thakkar AJ. Quadrupole and Octopole Moments of Heteroaromatic Rings Journal of Physical Chemistry A. 103: 10009-10014. DOI: 10.1021/Jp992524V |
0.374 |
|
| 1999 |
Doerksen RJ, Thakkar AJ, Koga T, Hayashi M. Geometries and multipole moments of A1H4/-, SiH4, PH3, H2S and HCl Journal of Molecular Structure: Theochem. 488: 217-221. DOI: 10.1016/S0166-1280(99)00020-2 |
0.363 |
|
| 1999 |
Das A, Mukherjee P, Thakkar A. Doubly excited triplet states of highly stripped ions The European Physical Journal D. 6: 451-456. DOI: 10.1007/S100530050330 |
0.383 |
|
| 1999 |
Koga T, Kanayama K, Watanabe S, Thakkar AJ. Analytical Hartree-Fock wave functions subject to cusp and asymptotic constraints: He to Xe, Li+ to Cs+, H? to I? International Journal of Quantum Chemistry. 71: 491-497. DOI: 10.1002/(Sici)1097-461X(1999)71:6<491::Aid-Qua6>3.0.Co;2-T |
0.373 |
|
| 1998 |
Hoffmeyer RE, Bündgen P, Thakkar AJ. Cross sections for x-ray and high-energy electron scattering by small molecules Journal of Physics B: Atomic, Molecular and Optical Physics. 31: 3675-3692. DOI: 10.1088/0953-4075/31/16/019 |
0.35 |
|
| 1998 |
Das AK, Thakkar AJ. Static response properties of second-period atoms: coupled cluster calculations Journal of Physics B: Atomic, Molecular and Optical Physics. 31: 2215-2223. DOI: 10.1088/0953-4075/31/10/011 |
0.41 |
|
| 1998 |
Archibong EF, Hu C, Thakkar AJ. Interaction potentials for He–F− and Ne–F− The Journal of Chemical Physics. 109: 3072-3076. DOI: 10.1063/1.476899 |
0.419 |
|
| 1998 |
Koga T, Matsuyama H, Inomata H, Romera E, Dehesa JS, Thakkar AJ. Electron momentum densities of atoms Journal of Chemical Physics. 109: 1601-1606. DOI: 10.1063/1.476733 |
0.401 |
|
| 1998 |
Doerksen RJ, Thakkar AJ. Azaborinines: Structures, vibrational frequencies, and polarizabilities Journal of Physical Chemistry A. 102: 4679-4686. DOI: 10.1021/Jp980778V |
0.385 |
|
| 1997 |
Thakkar AJ, Dykstra CE. Benchmark ab initio calculations of small molecules Journal of Molecular Structure: Theochem. 400: 1-5. DOI: 10.1016/S0166-1280(97)90263-3 |
0.383 |
|
| 1996 |
Koga T, Aoki H, Thakkar AJ. Kinetic energy analysis of atomic multiplets. II. smdn configurations Canadian Journal of Chemistry. 74: 775-780. DOI: 10.1139/V96-085 |
0.383 |
|
| 1996 |
Koga T, Thakkar AJ. Moments and expansion coefficients of atomic electron momentum densities: numerical Hartree - Fock calculations for hydrogen to lawrencium Journal of Physics B: Atomic, Molecular and Optical Physics. 29: 2973-2983. DOI: 10.1088/0953-4075/29/14/010 |
0.463 |
|
| 1996 |
Kumar A, Meath WJ, Bündgen P, Thakkar AJ. Reliable anisotropic dipole properties, and dispersion energy coefficients, for O2evaluated using constrained dipole oscillator strength techniques The Journal of Chemical Physics. 105: 4927-4937. DOI: 10.1080/002689797172084 |
0.371 |
|
| 1996 |
Hu C, Thakkar AJ. Potential energy surface for interactions between N2 and He: Ab initio calculations, analytic fits, and second virial coefficients The Journal of Chemical Physics. 104: 2541-2547. DOI: 10.1063/1.471002 |
0.383 |
|
| 1996 |
El-Bakali Kassimi N, Doerksen RJ, Thakkar AJ. Polarizabilities of Oxazoles: Ab Initio Calculations and Simple Models The Journal of Physical Chemistry. 100: 8752-8757. DOI: 10.1021/Jp953425U |
0.431 |
|
| 1996 |
Alexander S, Coldwell R, Hoffmeyer RE, Thakkar AJ. High energy electron and X-ray scattering from atoms using Monte Carlo methods Journal of Molecular Structure: Theochem. 388: 7-17. DOI: 10.1016/S0166-1280(96)80013-3 |
0.41 |
|
| 1996 |
Bündgen P, Thakkar AJ, Grein F, Ernzerhof M, Marian CM, Nestmann B. Moments of the quadrupole oscillator strength distribution for O2, N2, CO, HF, HCl, N2O, CO2, OCS, CS2 and C2H2: Ab initio sum rule calculations Chemical Physics Letters. 261: 625-632. DOI: 10.1016/0009-2614(96)01019-6 |
0.359 |
|
| 1996 |
Koga T, Takagi T, Thakkar AJ. Kinetic energy analysis of atomic multiplets: III.f m configurations Theoretical Chemistry Accounts. 93: 157-163. DOI: 10.1007/Bf01113349 |
0.318 |
|
| 1996 |
Doerksen RJ, Thakkar AJ. Polarizabilities of heteroaromatic molecules: Azines revisited International Journal of Quantum Chemistry. 60: 1633-1642. DOI: 10.1002/(Sici)1097-461X(1996)60:7<1633::Aid-Qua45>3.0.Co;2-# |
0.427 |
|
| 1996 |
Koga T, Takagi T, Thakkar AJ. Kinetic energy analysis of atomic multiplets Theoretica Chimica Acta. 93: 157-163. DOI: 10.1002/(Sici)1097-461X(1996)57:1<89::Aid-Qua10>3.0.Co;2-3 |
0.412 |
|
| 1995 |
Koga T, Omura M, Teruya H, Thakkar AJ. Improved Roothaan-Hartree-Fock wavefunctions for isoelectronic series of the atoms He to Ne Journal of Physics B: Atomic, Molecular and Optical Physics. 28: 3113-3121. DOI: 10.1088/0953-4075/28/15/006 |
0.423 |
|
| 1995 |
Koga T, Watanabe S, Kanayama K, Yasuda R, Thakkar AJ. Improved Roothaan–Hartree–Fock wave functions for atoms and ions with N≤54 The Journal of Chemical Physics. 103: 3000-3005. DOI: 10.1063/1.470488 |
0.342 |
|
| 1995 |
Kassimi NEB, Doerksen RJ, Thakkar AJ. Polarizabilities of aromatic five-membered rings: Azoles Journal of Physical Chemistry. 99: 12790-12796. DOI: 10.1021/J100034A017 |
0.401 |
|
| 1995 |
Komasa J, Thakkar AJ. Accurate Heitler-London interaction energy for He2 Journal of Molecular Structure: Theochem. 343: 43-48. DOI: 10.1016/0166-1280(95)90521-9 |
0.444 |
|
| 1995 |
Bündgen P, Grein F, Thakkar AJ. Dipole and quadrupole moments of small molecules. An ab initio study using perturbatively corrected, multi-reference, configuration interaction wave functions Journal of Molecular Structure: Theochem. 334: 7-13. DOI: 10.1016/0166-1280(94)03974-P |
0.364 |
|
| 1995 |
Koga T, Shibata E, Thakkar AJ. Roothaan–Hartree–Fock wave functions for cations and anions in Slater-type basis sets with doubly even tempered exponents Theoretica Chimica Acta. 91: 47. DOI: 10.1007/S002140050086 |
0.421 |
|
| 1995 |
Alexander SA, Coldwell RL, Hoffmeyer RE, Thakkar AJ. High‐energy electron and X‐ray scattering from H2 using Monte Carlo techniques International Journal of Quantum Chemistry. 56: 627-630. DOI: 10.1002/Qua.560560868 |
0.335 |
|
| 1995 |
Koga T, Watanabe S, Thakkar AJ. Numerical Hartree-Fock results for atoms Cs through Lr International Journal of Quantum Chemistry. 54: 261-263. DOI: 10.1002/Qua.560540409 |
0.378 |
|
| 1994 |
Koga T, Thakkar AJ. Erratum: Roothaan-Hartree-Fock wave functions for atoms from Cs through U Physical Review. A. 50: 891. PMID 9920629 DOI: 10.1103/Physreva.50.891.2 |
0.353 |
|
| 1994 |
Kassimi NE, Thakkar AJ. Static hyperpolarizability of atomic lithium. Physical Review. A. 50: 2948-2952. PMID 9911237 DOI: 10.1103/Physreva.50.2948 |
0.318 |
|
| 1994 |
Thakkar AJ, Koga T. Ground-state energies for the helium isoelectronic series. Physical Review. A. 50: 854-856. PMID 9910962 DOI: 10.1103/Physreva.50.854 |
0.321 |
|
| 1994 |
Komasa J, Thakkar AJ. Small-angle elastic scattering of high-energy electrons by H2, HD, and D2. Physical Review. A. 49: 965-968. PMID 9910325 DOI: 10.1103/Physreva.49.965 |
0.39 |
|
| 1994 |
Archibong EF, Thakkar AJ. Polarizabilities of aromatic six-membered rings: azines and ‘inorganic benzenes’ Molecular Physics. 81: 557-567. DOI: 10.1080/00268979400100371 |
0.384 |
|
| 1994 |
Tatewaki H, Koga T, Sakai Y, Thakkar AJ. Numerical Hartree–Fock energies of low‐lying excited states of neutral atoms with Z≤18 The Journal of Chemical Physics. 101: 4945-4948. DOI: 10.1063/1.467417 |
0.432 |
|
| 1994 |
Archibong EF, Thakkar AJ. Static hyperpolarizability of N2 The Journal of Chemical Physics. 100: 7471-7475. DOI: 10.1063/1.466890 |
0.301 |
|
| 1994 |
Koga T, Tatewaki H, Thakkar AJ. Numerical Hartree–Fock energies of singly charged cations and anions with N≤54 The Journal of Chemical Physics. 100: 8140-8144. DOI: 10.1063/1.466808 |
0.391 |
|
| 1994 |
Kondo A, Meath WJ, Nilar SH, Thakkar AJ. Pump-probe studies of the effects of permanent dipoles in one- and two-colour molecular excitations Chemical Physics. 186: 375-394. DOI: 10.1016/0301-0104(94)00151-0 |
0.347 |
|
| 1994 |
Koga T, Saito M, Hoffmeyer RE, Thakkar AJ. Contracted gaussian basis sets for sodium through to argon Journal of Molecular Structure: Theochem. 306: 249-260. DOI: 10.1016/0166-1280(94)80045-6 |
0.326 |
|
| 1994 |
Komasa J, Thakkar AJ. An improved potential energy curve for the C1Πu state of H2 Chemical Physics Letters. 222: 65-68. DOI: 10.1016/0009-2614(94)00308-4 |
0.393 |
|
| 1994 |
Koga T, Tatewaki H, Thakkar AJ. Double even tempering of orbital exponents: Application to Roothaan-Hartree-Fock calculations for He through Xe in Slater-type basis sets Theoretica Chimica Acta. 88: 273-283. DOI: 10.1007/Bf01113451 |
0.373 |
|
| 1993 |
Koga T, Thakkar AJ. Roothaan-Hartree-Fock wave functions for atoms from Cs through U. Physical Review. A. 48: 4775-4777. PMID 9910191 DOI: 10.1103/Physreva.48.4775 |
0.394 |
|
| 1993 |
Pathak RK, Kshirsagar A, Hoffmeyer R, Thakkar AJ. Leading corrections to atomic impulse-approximation Compton profiles: A density-functional approach. Physical Review. A. 48: 2946-2951. PMID 9909943 DOI: 10.1103/Physreva.48.2946 |
0.398 |
|
| 1993 |
Koga T, Tatewaki H, Thakkar AJ. Roothaan-Hartree-Fock wave functions for atoms with Z <= 54. Physical Review. A. 47: 4510-4512. PMID 9909462 DOI: 10.1103/Physreva.47.4510 |
0.385 |
|
| 1993 |
Koga T, Seki Y, Thakkar AJ. Improved Double-Zeta Description for the Atoms Li through Xe Bulletin of the Chemical Society of Japan. 66: 3135-3141. DOI: 10.1246/Bcsj.66.3135 |
0.403 |
|
| 1993 |
Nilar SH, Thakkar AJ, Kondo AE, Meath WJ. Electronic energies, dipole moment matrix elements, and static polarizabilities and hyperpolarizabilities for some diphenyl molecules Canadian Journal of Chemistry. 71: 1663-1671. DOI: 10.1139/V93-207 |
0.366 |
|
| 1993 |
Liu JW, Thakkar AJ, Tatewaki H. Elastic scattering of high energy electrons by N2: discrepancy between theory and experiment Journal of Physics B. 26. DOI: 10.1088/0953-4075/26/7/006 |
0.412 |
|
| 1993 |
Koga T, Seki Y, Thakkar AJ, Tatewaki H. Roothaan-Hartree-Fock wavefunctions for ions with NJournal of Physics B: Atomic, Molecular and Optical Physics. 26: 2529-2532. DOI: 10.1088/0953-4075/26/16/010 |
0.353 |
|
| 1993 |
Hettema H, Wormer PE, Thakkar AJ. Intramolecular bond length dependence of the anisotropic dispersion coefficients for interactions of rare gas atoms with N2, CO, Cl2, HCl and HBr Molecular Physics. 80: 533-548. DOI: 10.1080/00268979300102451 |
0.383 |
|
| 1993 |
Komasa J, Thakkar AJ. Accurate multipole moments for H2 and D2 including the effects of electron correlation and molecular vibration and rotation Molecular Physics. 78: 1039-1046. DOI: 10.1080/00268979300100671 |
0.396 |
|
| 1993 |
Wormer PES, Hettema H, Thakkar AJ. Intramolecular bond length dependence of the anisotropic dispersion coefficients for H2–rare gas interactions The Journal of Chemical Physics. 98: 7140-7144. DOI: 10.1063/1.464757 |
0.371 |
|
| 1993 |
Cann NM, Boyd RJ, Thakkar AJ. Charge and intracule densities in singly excited heliumlike ions The Journal of Chemical Physics. 98: 7132-7139. DOI: 10.1063/1.464756 |
0.326 |
|
| 1993 |
Archibong EF, Thakkar AJ. Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities in linear polyynes The Journal of Chemical Physics. 98: 8324-8329. DOI: 10.1063/1.464537 |
0.306 |
|
| 1993 |
Hoffmeyer RE, Thakkar AJ, Wei H, Carrington T. Vibrational effects on cross sections for elastic scattering of X-rays and fast electrons by H2O molecules Chemical Physics Letters. 207: 407-413. DOI: 10.1016/0009-2614(93)89022-A |
0.353 |
|
| 1993 |
Archibong EF, Thakkar AJ. Static polarizabilities and hyperpolarizabilities, and multipole moments for Cl2 and Br2. Electron correlation and molecular vibration effects Chemical Physics Letters. 201: 485-492. DOI: 10.1016/0009-2614(93)85106-X |
0.383 |
|
| 1993 |
Koga T, Tatewaki H, Thakkar AJ. Even-tempered Roothaan-Hartree-Fock wave functions for the third- and fourth-row atoms Theoretica Chimica Acta. 86: 477-485. DOI: 10.1007/Bf01113946 |
0.405 |
|
| 1993 |
Koga T, Thakkar AJ. Medium-size Gaussian basis sets for hydrogen through argon Theoretica Chimica Acta. 85: 391-394. DOI: 10.1007/Bf01113432 |
0.372 |
|
| 1993 |
Koga T, Thakkar AJ. Optimal single-zeta description for the atoms Al through Xe Theoretica Chimica Acta. 85: 363-370. DOI: 10.1007/Bf01113429 |
0.389 |
|
| 1993 |
Thakkar AJ, Koga T, Saito M, Hoffmeyer RE. Double and quadruple zeta contracted Gaussian basis sets for hydrogen through neon International Journal of Quantum Chemistry. 48: 343-354. DOI: 10.1002/Qua.560480835 |
0.309 |
|
| 1993 |
Cann NM, Boyd RJ, Thakkar AJ. Statistical electron correlation coefficients for 29 states of the heliumlike ions International Journal of Quantum Chemistry. 48: 33-42. DOI: 10.1002/Qua.560480807 |
0.382 |
|
| 1993 |
Cann NM, Boyd RJ, Thakkar AJ. Electron correlation effects in the Rydberg-like 33D and 31D states of helium-like ions International Journal of Quantum Chemistry. 48: 1-14. DOI: 10.1002/Qua.560480102 |
0.363 |
|
| 1993 |
Koga T, Kasai Y, Thakkar AJ. Accurate algebraic densities and intracules for heliumlike ions International Journal of Quantum Chemistry. 46: 689-699. DOI: 10.1002/Qua.560460603 |
0.41 |
|
| 1992 |
Cann NM, Thakkar AJ. Oscillator strengths for S-P and P-D transitions in heliumlike ions. Physical Review. A. 46: 5397-5405. PMID 9908787 DOI: 10.1103/Physreva.46.5397 |
0.34 |
|
| 1992 |
Thakkar AJ. Comparison of kinetic-energy density functionals. Physical Review. A. 46: 6920-6924. PMID 9908024 DOI: 10.1103/Physreva.46.6920 |
0.44 |
|
| 1992 |
Koga T, Thakkar AJ. Improvement of the long-range behavior of Gaussian basis sets using asymptotic constraints Canadian Journal of Chemistry. 70: 362-365. DOI: 10.1139/V92-051 |
0.337 |
|
| 1992 |
Thakkar AJ, Smith VH. High‐accuracy ab initio form factors for the hydride anion and isoelectronic species Acta Crystallographica Section A. 48: 70-71. DOI: 10.1107/S0108767391005883 |
0.502 |
|
| 1992 |
Thakkar AJ, Hettema H, Wormer PES. Abinitiodispersion coefficients for interactions involving rare‐gas atoms The Journal of Chemical Physics. 97: 3252-3257. DOI: 10.1063/1.463012 |
0.35 |
|
| 1992 |
Thakkar AJ, Hu ZM, Chuaqui CE, Carley JS, LeRoy RJ. Angle and bond-length dependent C6 coefficients for H2 interacting with H, Li, Be and rare gas atoms Theoretica Chimica Acta. 82: 57-73. DOI: 10.1007/Bf01113130 |
0.385 |
|
| 1992 |
Thakkar AJ, Koga T. Analytic approximations to the momentum moments of neutral atoms International Journal of Quantum Chemistry. 44: 291-298. DOI: 10.1002/Qua.560440825 |
0.39 |
|
| 1992 |
Thakkar AJ, Koga T, Matsuyama H, Archibong EF. Constrained self-consistent-field wave functions with improved long-range behavior International Journal of Quantum Chemistry. 44: 985-995. DOI: 10.1002/Qua.560440604 |
0.355 |
|
| 1991 |
Koga T, Matsuyama H, Thakkar AJ. Position moments linearly averaged over Hartree-Fock orbitals. Physical Review. A. 43: 3299-3304. PMID 9905412 DOI: 10.1103/Physreva.43.3299 |
0.382 |
|
| 1991 |
Maroulis G, Thakkar AJ. Ab initiostatic polarizabilities and multipole moments of I2 Molecular Physics. 73: 1235-1240. DOI: 10.1080/00268979100101891 |
0.389 |
|
| 1991 |
Maroulis G, Thakkar AJ. Static hyperpolarizabilities and polarizabilities of linear polyynes The Journal of Chemical Physics. 95: 9060-9064. DOI: 10.1063/1.461185 |
0.379 |
|
| 1991 |
Westgate WM, Sagar RP, Farazdel A, Smith VH, Simas AM, Thakkar AJ. Momentum-space properties of the neutral atoms from H through U Atomic Data and Nuclear Data Tables. 48: 213-229. DOI: 10.1016/0092-640X(91)90007-Q |
0.808 |
|
| 1990 |
Thakkar AJ, Tatewaki H. Momentum-space properties of N2: Improved configuration-interaction calculations. Physical Review. A. 42: 1336-1345. PMID 9904161 DOI: 10.1103/Physreva.42.1336 |
0.323 |
|
| 1990 |
Maroulis G, Thakkar AJ. How important is electron correlation for the hyperpolarizability of ethyne? The Journal of Chemical Physics. 93: 652-656. DOI: 10.1063/1.459512 |
0.387 |
|
| 1990 |
Maroulis G, Thakkar AJ. Polarizabilities and hyperpolarizabilities of carbon dioxide The Journal of Chemical Physics. 93: 4164-4171. DOI: 10.1063/1.458749 |
0.397 |
|
| 1990 |
Thakkar AJ, Pedersen WA. Local density functional approximations and conjectured bounds for momentum moments International Journal of Quantum Chemistry. 38: 327-338. DOI: 10.1002/Qua.560382433 |
0.399 |
|
| 1989 |
Maroulis G, Thakkar AJ. Polarizabilities and hyperpolarizabilities of F2 The Journal of Chemical Physics. 90: 366-370. DOI: 10.1063/1.456482 |
0.31 |
|
| 1989 |
Maroulis G, Thakkar AJ. Hyperpolarizabilities and polarizabilities of neon: Discrepancy between theory and experiment Chemical Physics Letters. 156: 87-90. DOI: 10.1016/0009-2614(89)87087-3 |
0.329 |
|
| 1989 |
Tripathi AN, Smith VH, Thakkar AJ. Scattering of fast electrons and X-rays from molecules: CH4 and C2H2 International Journal of Quantum Chemistry. 35: 869-885. DOI: 10.1002/Qua.560350621 |
0.518 |
|
| 1988 |
Koga T, Ohta K, Thakkar AJ. Modified zero-momentum energy expression: A general criterion for assessing the accuracy of approximate wave functions. Physical Review. A. 37: 1411-1414. PMID 9899812 DOI: 10.1103/Physreva.37.1411 |
0.352 |
|
| 1988 |
Maroulis G, Thakkar AJ. Static hyperpolarisabilities and polarisabilities for Be: a fourth-order Moller-Plesset perturbation theory calculation Journal of Physics B: Atomic, Molecular and Optical Physics. 21: 3819-3831. DOI: 10.1088/0953-4075/21/23/004 |
0.333 |
|
| 1988 |
Maroulis G, Thakkar AJ. Erratum: Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth‐order many‐body perturbation theory calculations [J. Chem. Phys. 88, 7623 (1988)] The Journal of Chemical Physics. 89: 6558-6558. DOI: 10.1063/1.455737 |
0.329 |
|
| 1988 |
Thakkar AJ. Higher dispersion coefficients: Accurate values for hydrogen atoms and simple estimates for other systems The Journal of Chemical Physics. 89: 2092-2098. DOI: 10.1063/1.455105 |
0.366 |
|
| 1988 |
Maroulis G, Thakkar AJ. Multipole moments, polarizabilities, and hyperpolarizabilities for N2from fourth‐order many‐body perturbation theory calculations The Journal of Chemical Physics. 88: 7623-7632. DOI: 10.1063/1.454327 |
0.39 |
|
| 1987 |
Sharma BS, Thakkar AJ. Moments of the Bethe surface and total inelastic x-ray scattering cross sections for H2. Physical Review. A. 36: 5151-5158. PMID 9898783 DOI: 10.1103/Physreva.36.5151 |
0.306 |
|
| 1987 |
Maroulis G, Thakkar AJ. Quadrupole and hexadecapole moments for molecular nitrogen Journal of Physics B: Atomic and Molecular Physics. 20: L551-L554. DOI: 10.1088/0022-3700/20/17/002 |
0.326 |
|
| 1987 |
Thakkar AJ. Coulomb holes in the 23P and 21P states of helium-like ions Journal of Physics B: Atomic and Molecular Physics. 20: 3939-3945. DOI: 10.1088/0022-3700/20/16/007 |
0.373 |
|
| 1987 |
Sharma BS, Thakkar AJ. Moments of the generalised oscillator strength distribution and total inelastic x-ray scattering cross sections for He and H- Journal of Physics B: Atomic and Molecular Physics. 20: 6171-6172. DOI: 10.1088/0022-3700/19/7/014 |
0.301 |
|
| 1987 |
Thakkar AJ, Wonfor AL, Pedersen WA. Asymptotic expansions of the electron momentum densities of the atoms from hydrogen through lawrencium The Journal of Chemical Physics. 87: 1212-1215. DOI: 10.1063/1.453301 |
0.452 |
|
| 1987 |
Pathak RK, Thakkar AJ. Very short‐range interatomic potentials The Journal of Chemical Physics. 87: 2186-2190. DOI: 10.1063/1.453144 |
0.39 |
|
| 1987 |
Thakkar AJ. Asymptotic behavior of atomic momentals The Journal of Chemical Physics. 86: 5060-5062. DOI: 10.1063/1.452648 |
0.366 |
|
| 1987 |
Jain AK, Tripathi AN, Smith VH, Thakkar AJ. Scattering of fast electrons and X-rays from CO2 molecules International Journal of Quantum Chemistry. 32: 217-227. DOI: 10.1002/Qua.560320724 |
0.532 |
|
| 1987 |
Robertson DD, Smith VH, Thakkar AJ. More on basis set quality tests International Journal of Quantum Chemistry. 32: 427-434. DOI: 10.1002/Qua.560320403 |
0.491 |
|
| 1986 |
Thakkar AJ, Liu JW, Stevens WJ. Compton profiles and other momentum-space properties of N2. Physical Review. A. 34: 4695-4703. PMID 9897852 DOI: 10.1103/Physreva.34.4695 |
0.448 |
|
| 1986 |
Thakkar AJ. Relativistic kinetic energies and mass–velocity corrections in diatomic molecules The Journal of Chemical Physics. 85: 4509-4514. DOI: 10.1063/1.451771 |
0.43 |
|
| 1986 |
Pathak RK, Sharma BS, Thakkar AJ. Approximate relationships between density power integrals, moments of the momentum density, and interelectronic repulsions in diatomic molecules The Journal of Chemical Physics. 85: 958-962. DOI: 10.1063/1.451252 |
0.39 |
|
| 1986 |
Thakkar AJ, Sharma BS, Koga T. What do kinetic energy anisotropies tell us about chemical bonding? II. First‐row A2, AO, and AF diatomics The Journal of Chemical Physics. 85: 2845-2849. DOI: 10.1063/1.451043 |
0.396 |
|
| 1986 |
Thakkar AJ. The higher order electron–electron coalescence condition for the intracule function for states of maximum spin multiplicity The Journal of Chemical Physics. 84: 6830-6832. DOI: 10.1063/1.450686 |
0.31 |
|
| 1986 |
Robertson DD, Smith VH, Simas AM, Thakkar AJ. The quality ofs-orbitals determined by least-squares fitting and constrained variational methods International Journal of Quantum Chemistry. 30: 717-735. DOI: 10.1002/Qua.560300602 |
0.7 |
|
| 1986 |
Sharma BS, Thakkar AJ. What do kinetic-energy anisotropies tell us about chemical bonding? I. Diatomic hydrides International Journal of Quantum Chemistry. 29: 323-332. DOI: 10.1002/Qua.560290306 |
0.321 |
|
| 1985 |
Simas AM, Smith Jr VH, Thakkar AJ. Substituent effects in alkynes and cyanides: a momentum density perspective Canadian Journal of Chemistry. 63: 1412-1417. DOI: 10.1139/V85-243 |
0.641 |
|
| 1985 |
Regier PE, Thakkar AJ. Momentum space properties of two-electron atoms Journal of Physics B: Atomic and Molecular Physics. 18: 3061-3071. DOI: 10.1088/0022-3700/18/15/013 |
0.366 |
|
| 1985 |
Thakkar AJ, Koga T. Sum rules for atomic form factors and total x‐ray scattering intensities The Journal of Chemical Physics. 83: 747-749. DOI: 10.1063/1.449487 |
0.319 |
|
| 1985 |
Sharma BS, Thakkar AJ. Correlation energy generating potentials for molecular hydrogen The Journal of Chemical Physics. 83: 3577-3583. DOI: 10.1063/1.449163 |
0.443 |
|
| 1985 |
Simas AM, Smith VH, Thakkar AJ. A momentum density analysis of strong hydrogen bonding Journal of Molecular Structure: Theochem. 123: 221-229. DOI: 10.1016/0166-1280(85)80166-4 |
0.703 |
|
| 1985 |
Regier PE, Fisher J, Sharma BS, Thakkar AJ. Gaussian vs. Slater representations ofd orbitals: An information theoretic appraisal based on both position and momentum space properties International Journal of Quantum Chemistry. 28: 429-449. DOI: 10.1002/Qua.560280403 |
0.327 |
|
| 1984 |
Regier PE, Thakkar AJ. Approximate solutions of the momentum-space integral Schrödinger equation for two-electron atoms Physical Review A. 30: 30-34. DOI: 10.1103/Physreva.30.30 |
0.332 |
|
| 1984 |
Thakkar AJ, Tripathi AN, Smith VH. Molecular x-ray- and electron-scattering intensities Physical Review A. 29: 1108-1113. DOI: 10.1103/Physreva.29.1108 |
0.535 |
|
| 1984 |
Sharma BS, Thakkar AJ. Anisotropy of the Coulomb hole in H2 Journal of Physics B: Atomic and Molecular Physics. 17: 3405-3416. DOI: 10.1088/0022-3700/17/17/012 |
0.348 |
|
| 1984 |
Regier PE, Thakkar AJ. Charge densities and two-electron intracules for the low-lying excited states of the helium-like ions Journal of Physics B: Atomic and Molecular Physics. 17: 3391-3403. DOI: 10.1088/0022-3700/17/17/011 |
0.354 |
|
| 1984 |
Thakkar AJ, Simas AM, Smith VH. Partial wave analysis of the momentum density The Journal of Chemical Physics. 81: 2953-2961. DOI: 10.1063/1.448045 |
0.674 |
|
| 1984 |
Thakkar AJ. Incoherent scattering factors The Journal of Chemical Physics. 81: 1943-1946. DOI: 10.1063/1.447869 |
0.377 |
|
| 1984 |
Thakkar AJ. Bounding and estimation of van der Waals coefficients The Journal of Chemical Physics. 81: 1919-1928. DOI: 10.1063/1.447866 |
0.325 |
|
| 1984 |
Fuchs RR, Mccourt FRW, Thakkar AJ, Grein F. Two new anisotropic potential energy surfaces for nitrogen-helium: the use of Hartree-Fock SCF calculations and a combining rule for anisotropic long-range dispersion coefficients The Journal of Physical Chemistry. 88: 2036-2045. DOI: 10.1021/J150654A021 |
0.37 |
|
| 1984 |
Simas AM, Smith VH, Thakkar AJ. Partial-wave analysis of the momentum densities of 14 electron diatomics International Journal of Quantum Chemistry. 26: 385-392. DOI: 10.1002/Qua.560260836 |
0.703 |
|
| 1984 |
Thakkar AJ, Tripathi AN, Smith VH. Anisotropic electronic intracule densities for diatomics International Journal of Quantum Chemistry. 26: 157-166. DOI: 10.1002/Qua.560260202 |
0.553 |
|
| 1983 |
Thakkar AJ. Approximate energy relationships for molecules The Journal of Chemical Physics. 79: 523-523. DOI: 10.1063/1.445506 |
0.376 |
|
| 1983 |
Tanner A, Thakkar AJ, Linder B. On separation theorems for van der Waals interactions Chemical Physics Letters. 97: 37-40. DOI: 10.1016/0009-2614(83)87179-6 |
0.337 |
|
| 1983 |
Simas AM, Thakkar AJ, Smith VH. Basis set quality. II. Information theoretic appraisal of variouss- orbitals International Journal of Quantum Chemistry. 24: 527-550. DOI: 10.1002/Qua.560240603 |
0.679 |
|
| 1983 |
Tanner AC, Thakkar AJ. Discrete and continuum contributions to multipole polarizabilities and shielding factors of hydrogen International Journal of Quantum Chemistry. 24: 345-352. DOI: 10.1002/Qua.560240403 |
0.311 |
|
| 1983 |
Thakkar AJ. Interatomic forces and Compton profiles International Journal of Quantum Chemistry. 23: 227-234. DOI: 10.1002/Qua.560230121 |
0.338 |
|
| 1982 |
Thakkar AJ. Angular-correlation coefficients for first-row atoms Physical Review A. 25: 1820-1825. DOI: 10.1103/Physreva.25.1820 |
0.404 |
|
| 1982 |
Douketis C, Scoles G, Marchetti S, Zen M, Thakkar AJ. Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model The Journal of Chemical Physics. 76: 3057-3063. DOI: 10.1063/1.443345 |
0.442 |
|
| 1982 |
Thakkar AJ. Comments on inequalities among atomic expectation values The Journal of Chemical Physics. 76: 747-748. DOI: 10.1063/1.442687 |
0.369 |
|
| 1981 |
Thakkar AJ, Smith VH. Statistical electron correlation coefficients for the five lowest states of the heliumlike ions Physical Review A. 23: 473-478. DOI: 10.1103/Physreva.23.473 |
0.552 |
|
| 1981 |
Thakkar AJ. The generator coordinate method applied to variational perturbation theory. Multipole polarizabilities, spectral sums, and dispersion coefficients for helium The Journal of Chemical Physics. 75: 4496-4501. DOI: 10.1063/1.442617 |
0.417 |
|
| 1981 |
Thakkar AJ, Simas AM, Smith VH. Internally folded densities Chemical Physics. 63: 175-183. DOI: 10.1016/0301-0104(81)80319-9 |
0.688 |
|
| 1981 |
Thakkar AJ, Moore NJ. Electronic extracule densities International Journal of Quantum Chemistry. 20: 393-400. DOI: 10.1002/Qua.560200842 |
0.432 |
|
| 1980 |
Thakkar AJ, Simas AM, Smith VH. Extraction of momentum expectation values from Compton profiles Molecular Physics. 41: 1153-1162. DOI: 10.1080/00268978000103851 |
0.658 |
|
| 1980 |
Kaijser P, Smith VH, Thakkar AJ. Isotropic and directional compton profiles for N2, CO and BF Molecular Physics. 41: 1143-1151. DOI: 10.1080/00268978000103841 |
0.525 |
|
| 1980 |
Smith VH, Thakkar AJ, Henneker WH, Liu JW, Liu B, Brown RE. Erratum: Accurate Compton profiles for H2 and D2 including the effects of electron correlation and molecular vibration and rotation [J. Chem. Phys. 67, 3676 (1977)] The Journal of Chemical Physics. 73: 4150-4150. DOI: 10.1063/1.440771 |
0.503 |
|
| 1978 |
Thakkar AJ, Smith VH. N-electron zero-momentum energy expression: A criterion for assessing the accuracy of approximate wave functions Physical Review A. 18: 841-844. DOI: 10.1103/Physreva.18.841 |
0.537 |
|
| 1978 |
Thakkar AJ, Smith VH. Form factors and total scattering intensities for the helium-like ions from explicitly correlated wavefunctions Journal of Physics B: Atomic and Molecular Physics. 11: 3803-3820. DOI: 10.1088/0022-3700/11/22/009 |
0.501 |
|
| 1978 |
Thakkar AJ, Stȩślicka M. Model studies of the Tamm-like and field-sustained surface states of germanium Surface Science. 74: 168-180. DOI: 10.1016/0039-6028(78)90278-9 |
0.314 |
|
| 1977 |
Thakkar AJ. Comments on explicitly correlated wave functions for the ground state of the helium atom Physical Review A. 16: 1740-1742. DOI: 10.1103/Physreva.16.1740 |
0.387 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. III. Radially correlated wave functions for the ground state of the lithium atom Physical Review A. 15: 2143-2146. DOI: 10.1103/Physreva.15.2143 |
0.524 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. II. the 2S1, 2S3, 2P1, and 2P3 states of the helium-like ions from He through Mg10+ Physical Review A. 15: 16-22. DOI: 10.1103/Physreva.15.16 |
0.53 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. I. the 1S1 state of the helium-like ions from H- through Mg10+ Physical Review A. 15: 1-15. DOI: 10.1103/Physreva.15.1 |
0.58 |
|
| 1977 |
Thakkar AJ, Smith VH. A suggestion concerning modification of the n(R) —6 potentialmodel Molecular Physics. 34: 597-599. DOI: 10.1080/00268977700101961 |
0.433 |
|
| 1977 |
Smith VH, Thakkar AJ, Henneker WH, Liu JW, Liu B, Brown RE. Accurate Compton profiles for H2 and D2 including the effects of electron correlation and molecular vibration and rotation The Journal of Chemical Physics. 67: 3676-3682. DOI: 10.1063/1.435307 |
0.584 |
|
| 1977 |
Thakkar AJ, Smith VH. Accurate charge densities and two-electron intracule functions for the heliumlike ions The Journal of Chemical Physics. 67: 1191. DOI: 10.1063/1.434974 |
0.533 |
|
| 1976 |
Thakkar AJ, Smith VH. The electron—electron cusp condition for the spherical average of the intracule matrix Chemical Physics Letters. 42: 476-481. DOI: 10.1016/0009-2614(76)80657-4 |
0.464 |
|
| 1975 |
Smith VH, Thakkar AJ, Chapman DC. A new analytic approximation to atomic incoherent X-ray scattering intensities Acta Crystallographica Section A. 31: 391-392. DOI: 10.1107/S056773947500085X |
0.528 |
|
| 1975 |
Colpa JP, Thakkar AJ, Smith VH, Randle P. An analysis of energy differences in atomic multiplets in connection with the inequality formulation of hund’s rules. I. Frozen versus relaxed SCF orbitals and energies Molecular Physics. 29: 1861-1875. DOI: 10.1080/00268977500101631 |
0.57 |
|
| 1975 |
Thakkar AJ, Smith VH. Analytic approximations to the vibrational eigenvalues of the st potential Molecular Physics. 29: 1283-1285. DOI: 10.1080/00268977500101101 |
0.461 |
|
| 1975 |
Thakkar AJ, Smith VH. Molecular interactions in nitrogen and oxygen Molecular Physics. 29: 731-744. DOI: 10.1080/00268977500100661 |
0.532 |
|
| 1975 |
Thakkar AJ. A new generalized expansion for the potential energy curves of diatomic molecules The Journal of Chemical Physics. 62: 1693-1701. DOI: 10.1063/1.430693 |
0.357 |
|
| 1975 |
Thakkar AJ, Smith VH. Ring and other contributions to the higher virial coefficients Computer Physics Communications. 10: 80-85. DOI: 10.1016/0010-4655(75)90074-0 |
0.512 |
|
| 1975 |
Thakkar AJ, Smith VH. A strategy for the numerical evaluation of Fourier sine and cosine transforms to controlled accuracy Computer Physics Communications. 10: 73-79. DOI: 10.1016/0010-4655(75)90073-9 |
0.449 |
|
| 1974 |
Caligaris RE, Scalise OH, Grigera JR, Smith Jr. VH, Thakkar AJ. Comments on the 14-12-8-6 Potential Function Canadian Journal of Chemistry. 52: 2444-2448. DOI: 10.1139/V74-356 |
0.367 |
|
| 1974 |
Thakkar AJ, Smith VH. On a representation of the long-range interatomic interaction potential Journal of Physics B: Atomic and Molecular Physics. 7: L321-L325. DOI: 10.1088/0022-3700/7/10/004 |
0.503 |
|
| 1974 |
Thakkar AJ, Smith VH. Atomic interactions in neon and helium Molecular Physics. 27: 593-604. DOI: 10.1080/00268977400100511 |
0.535 |
|
| 1974 |
Thakkar AJ, Smith VH. Atomic interactions in the heavy noble gases Molecular Physics. 27: 191-208. DOI: 10.1080/00268977400100161 |
0.552 |
|
| 1974 |
Thakkar AJ, Smith VH. Mist: A New Interatomic Potential Function Chemical Physics Letters. 24: 157-161. DOI: 10.1016/0009-2614(74)85423-0 |
0.52 |
|
| 1973 |
Smith VH, Brown RE, Thakkar AJ. Natural Analysis of theS2andP2States of the Lithiumlike Ions Physical Review A. 7: 1192-1195. DOI: 10.1103/Physreva.7.1192 |
0.415 |
|
| 1973 |
Smith VH, Thakkar AJ. Fourier transform of the Morse-V
DD potential Journal of Low Temperature Physics. 13: 331-335. DOI: 10.1007/Bf00654071 |
0.448 |
|
| 1972 |
Smith VH, Thakkar AJ. Examination of a new intermolecular potential function Chemical Physics Letters. 17: 274-276. DOI: 10.1016/0009-2614(72)87072-6 |
0.51 |
|
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