دنبال کردن
Karol Kowalski
Karol Kowalski
Pacific Northwest National Laboratory
ایمیل تأیید شده در pnnl.gov - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
45732010
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
11672020
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
6582020
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
5742007
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
5592002
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
4972000
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
4132020
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
3792004
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
3402002
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
3292001
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
2592000
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
2352004
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
2322005
NWChem‏
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...‏
American Institute of Physics, 2020‏
2252020
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
2052004
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
1762000
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
1702001
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
1512001
On the electronically excited states of uracil‏
E Epifanovsky, K Kowalski, PD Fan, M Valiev, S Matsika, AI Krylov‏
The Journal of Physical Chemistry A 112 (40), 9983-9992, 2008‏
1412008
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
1392005
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مقاله‌ها 1–20