| NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations M Valiev, EJ Bylaska, N Govind, K Kowalski, TP Straatsma, HJJ Van Dam, ... Computer Physics Communications 181 (9), 1477-1489, 2010 | 4502 | 2010 |
| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 1043 | 2020 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 600 | 2020 |
| NWChem, A computational chemistry package for parallel computers, version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007 | 572 | 2007 |
| Efficient computer implementation of the renormalized coupled-cluster methods: the r-ccsd [t], r-ccsd (t), cr-ccsd [t], and cr-ccsd (t) approaches P Piecuch, SA Kucharski, K Kowalski, M Musiał Computer Physics Communications 149 (2), 71-96, 2002 | 557 | 2002 |
| The method of moments of coupled-cluster equations and the renormalized CCSD [T], CCSD (T), CCSD (TQ), and CCSDT (Q) approaches K Kowalski, P Piecuch The Journal of Chemical Physics 113 (1), 18-35, 2000 | 485 | 2000 |
| New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states K Kowalski, P Piecuch The Journal of Chemical Physics 120 (4), 1715-1738, 2004 | 376 | 2004 |
| Exploiting chemistry and molecular systems for quantum information science MR Wasielewski, MDE Forbes, NL Frank, K Kowalski, GD Scholes, ... Nature Reviews Chemistry 4 (9), 490-504, 2020 | 354 | 2020 |
| Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches P Piecuch, K Kowalski, ISO Pimienta, MJ Mcguire International Reviews in Physical Chemistry 21 (4), 527-655, 2002 | 335 | 2002 |
| The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt K Kowalski, P Piecuch The Journal of Chemical Physics 115 (2), 643-651, 2001 | 326 | 2001 |
| Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the triple bond K Kowalski, P Piecuch The Journal of Chemical Physics 113 (14), 5644-5652, 2000 | 256 | 2000 |
| Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states P Piecuch, K Kowalski, ISO Pimienta, PD Fan, M Lodriguito, MJ McGuire, ... Theoretical Chemistry Accounts 112, 349-393, 2004 | 230 | 2004 |
| Where does the planar-to-nonplanar turnover occur in small gold clusters? RM Olson, S Varganov, MS Gordon, H Metiu, S Chretien, P Piecuch, ... Journal of the American Chemical Society 127 (3), 1049-1052, 2005 | 227 | 2005 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 224 | 2020 |
| Coupled cluster calculations of ground and excited states of nuclei K Kowalski, DJ Dean, M Hjorth-Jensen, T Papenbrock, P Piecuch Physical review letters 92 (13), 132501, 2004 | 203 | 2004 |
| The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach K Kowalski, P Piecuch The Journal of Chemical Physics 113 (19), 8490-8502, 2000 | 173 | 2000 |
| A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2 K Kowalski, P Piecuch Chemical physics letters 344 (1-2), 165-175, 2001 | 169 | 2001 |
| Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results K Kowalski, P Piecuch Chemical physics letters 347 (1-3), 237-246, 2001 | 150 | 2001 |
| Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules M Włoch, JR Gour, K Kowalski, P Piecuch The Journal of chemical physics 122 (21), 2005 | 138 | 2005 |
| New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled … K Kowalski, P Piecuch The Journal of Chemical Physics 115 (7), 2966-2978, 2001 | 138 | 2001 |
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State UniversityVerified email at chemistry.msu.edu
