Karol Kowalski
Karol Kowalski
Verified email at pnnl.gov - Homepage
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Year
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
34462010
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
5282007
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
4922002
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
4182000
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
3292004
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
2892002
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
2522001
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
2222000
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
2142005
NWCHEM, a computational chemistry package for parallel computers, Version 4.7
E Apra, TL Windus, TP Straatsma, EJ Bylaska, W de Jong, S Hirata, ...
Pacific Northwest National Laboratory, Richland, Washington 99352, 2005
2062005
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 (5-6), 349-393, 2004
2012004
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
1772004
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
1542001
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
1522000
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), 214107, 2005
1302005
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 coupledá…
K Kowalski, P Piecuch
The Journal of Chemical Physics 115 (7), 2966-2978, 2001
1272001
Ab-Initio Coupled-Cluster Study of
M Włoch, DJ Dean, JR Gour, M Hjorth-Jensen, K Kowalski, T Papenbrock, ...
Physical review letters 94 (21), 212501, 2005
1252005
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
1232001
Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT (Q) study
P Piecuch, SA Kucharski, K Kowalski
Chemical physics letters 344 (1-2), 176-184, 2001
1152001
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
1092008
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