| Year |
Citation |
Score |
| 2011 |
Kowalski K, Hammond JR, De Jong WA, Fan PD, Valiev M, Wang D, Govind N. Coupled-Cluster Calculations for Large Molecular and Extended Systems Computational Methods For Large Systems: Electronic Structure Approaches For Biotechnology and Nanotechnology. 167-200. DOI: 10.1002/9780470930779.ch5 |
0.611 |
|
| 2009 |
Kowalski K, Fan PD. Generating functionals based formulation of the method of moments of coupled cluster equations. The Journal of Chemical Physics. 130: 084112. PMID 19256602 DOI: 10.1063/1.3076138 |
0.686 |
|
| 2008 |
Epifanovsky E, Kowalski K, Fan PD, Valiev M, Matsika S, Krylov AI. On the electronically excited states of uracil. The Journal of Physical Chemistry. A. 112: 9983-92. PMID 18771247 DOI: 10.1021/Jp803758Q |
0.66 |
|
| 2008 |
Fan PD, Valiev M, Kowalski K. Large-scale parallel calculations with combined coupled cluster and molecular mechanics formalism: Excitation energies of zinc-porphyrin in aqueous solution Chemical Physics Letters. 458: 205-209. DOI: 10.1016/J.Cplett.2008.04.071 |
0.695 |
|
| 2007 |
Fan PD, Kamiya M, Hirata S. Active-Space Equation-of-Motion Coupled-Cluster Methods through Quadruples for Excited, Ionized, and Electron-Attached States. Journal of Chemical Theory and Computation. 3: 1036-46. PMID 26627422 DOI: 10.1021/Ct600270C |
0.456 |
|
| 2007 |
Hirata S, Yanai T, Harrison RJ, Kamiya M, Fan PD. High-order electron-correlation methods with scalar relativistic and spin-orbit corrections. The Journal of Chemical Physics. 126: 024104. PMID 17228940 DOI: 10.1063/1.2423005 |
0.509 |
|
| 2007 |
Piecuch P, Pimienta ISO, Fan PD, Kowalski K. New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking Acs Symposium Series. 958: 37-73. |
0.634 |
|
| 2006 |
Fan PD, Hirata S. Active-space coupled-cluster methods through connected quadruple excitations. The Journal of Chemical Physics. 124: 104108. PMID 16542069 DOI: 10.1063/1.2178797 |
0.427 |
|
| 2006 |
Fan PD, Piecuch P. The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods Advances in Quantum Chemistry. 51: 1-57. DOI: 10.1016/S0065-3276(06)51001-9 |
0.77 |
|
| 2006 |
Fan PD, Piecuch P. Intriguing accuracies of the exponential wave function expansions exploiting finite two-body correlation operators in calculations for many-electron systems Journal of Molecular Structure: Theochem. 768: 3-16. DOI: 10.1016/J.Theochem.2006.04.050 |
0.696 |
|
| 2006 |
Piecuch P, Hirata S, Kowalski K, Fan PD, Windus TL. Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods International Journal of Quantum Chemistry. 106: 79-97. DOI: 10.1002/Qua.20753 |
0.719 |
|
| 2005 |
Fan PD, Kowalski K, Piecuch P. Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations Molecular Physics. 103: 2191-2213. DOI: 10.1080/00268970500131595 |
0.744 |
|
| 2004 |
Hirata S, Fan PD, Auer AA, Nooijen M, Piecuch P. Combined coupled-cluster and many-body perturbation theories. The Journal of Chemical Physics. 121: 12197-207. PMID 15606238 DOI: 10.1063/1.1814932 |
0.55 |
|
| 2004 |
Piecuch P, Kowalski K, Pimienta ISO, Fan PD, Lodriguito M, McGuire MJ, Kucharski SA, Ku? T, Musia? M. Method of moments of coupled-cluster equations: A new formalism for designing accurate electronic structure methods for ground and excited states Theoretical Chemistry Accounts. 112: 349-393. DOI: 10.1007/S00214-004-0567-2 |
0.602 |
|
| 2003 |
Piecuch P, Kowalski K, Fan PD, Jedziniak K. Exactness of two-body cluster expansions in many-body quantum theory. Physical Review Letters. 90: 113001. PMID 12688924 DOI: 10.1103/Physrevlett.90.113001 |
0.692 |
|
| 2002 |
Fan PD, Deglmann P, Ahlrichs R. Electron counts for face-bridged octahedral transition metal clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 1059-67. PMID 11891892 DOI: 10.1002/1521-3765(20020301)8:5<1059::Aid-Chem1059>3.0.Co;2-V |
0.348 |
|
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