So Hirata
Title
Cited by
Cited by
Year
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Phys. Chem. Chem. Phys 8, 3172, 2006
26792006
Time-dependent density functional theory within the Tamm–Dancoff approximation
S Hirata, M Head-Gordon
Chemical Physics Letters 314 (3-4), 291-299, 1999
15121999
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6572000
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
5672007
Time-dependent density functional theory for radicals: An improved description of excited states with substantial double excitation character
S Hirata, M Head-Gordon
Chemical physics letters 302 (5-6), 375-382, 1999
4731999
Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories
S Hirata
The Journal of Physical Chemistry A 107 (46), 9887-9897, 2003
4032003
Exact exchange treatment for molecules in finite-basis-set Kohn-Sham theory
S Ivanov, S Hirata, RJ Bartlett
Physical Review Letters 83 (26), 5455, 1999
3141999
Excitation energies from time-dependent density functional theory for linear polyene oligomers: butadiene to decapentaene
CP Hsu, S Hirata, M Head-Gordon
The Journal of Physical Chemistry A 105 (2), 451-458, 2001
2982001
Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene
S Hirata, TJ Lee, M Head-Gordon
The Journal of chemical physics 111 (19), 8904-8912, 1999
2321999
Synthesis of high-performance parallel programs for a class of ab initio quantum chemistry models
G Baumgartner, A Auer, DE Bernholdt, A Bibireata, V Choppella, ...
Proceedings of the IEEE 93 (2), 276-292, 2005
2312005
NWCHEM, a computational chemistry package for parallel computers, Version 4.6
TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ...
Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004
2282004
Higher-order equation-of-motion coupled-cluster methods
S Hirata
The Journal of chemical physics 121 (1), 51-59, 2004
2212004
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
2162020
Can optimized effective potentials be determined uniquely?
S Hirata, S Ivanov, I Grabowski, RJ Bartlett, K Burke, JD Talman
The Journal of Chemical Physics 115 (4), 1635-1649, 2001
2112001
Configuration interaction singles, time-dependent Hartree–Fock, and time-dependent density functional theory for the electronic excited states of extended systems
S Hirata, M Head-Gordon, RJ Bartlett
The Journal of Chemical Physics 111 (24), 10774-10786, 1999
2081999
Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
S Hirata, M Nooijen, I Grabowski, RJ Bartlett
The Journal of Chemical Physics 114 (9), 3919-3928, 2001
1752001
Combined coupled-cluster and many-body perturbation theories
S Hirata, PD Fan, AA Auer, M Nooijen, P Piecuch
The Journal of chemical physics 121 (24), 12197-12207, 2004
1732004
The exchange-correlation potential in ab initio density functional theory
RJ Bartlett, I Grabowski, S Hirata, S Ivanov
The Journal of chemical physics 122 (3), 034104, 2005
1662005
Ab initio density functional theory: OEP-MBPT(2). A new orbital-dependent correlation functional
I Grabowski, S Hirata, S Ivanov, RJ Bartlett
The Journal of chemical physics 116 (11), 4415-4425, 2002
1592002
Fast electron correlation methods for molecular clusters in the ground and excited states
S Hirata, M Valiev, M Dupuis, SS Xantheas, S Sugiki, H Sekino
Molecular Physics 103 (15-16), 2255-2265, 2005
1452005
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