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
4527 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
1092 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
625 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
573 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
491 2000 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
381 2020 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
379 2004 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
336 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
329 2001 Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the K Kowalski, P Piecuch
The Journal of Chemical Physics 113 (14), 5644-5652, 2000
257 2000 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
231 2005 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
231 2004 NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
225 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
204 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
174 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
170 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
151 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
139 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
139 2001 
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State UniversityEmail verificata su chemistry.msu.edu