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Toru Shiozaki
Toru Shiozaki
QSimulate
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Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients
T Shiozaki, W Győrffy, P Celani, HJ Werner
The Journal of Chemical Physics 135 (8), 2011
4602011
Explicitly correlated multireference configuration interaction: MRCI-F12
T Shiozaki, G Knizia, HJ Werner
The Journal of chemical physics 134 (3), 2011
2902011
BAGEL: brilliantly advanced general electronic‐structure library
T Shiozaki
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1331, 2018
2132018
Multireference explicitly correlated F12 theories
T Shiozaki, HJ Werner
Molecular Physics 111 (5), 607-630, 2013
1412013
Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12
T Shiozaki, HJ Werner
The Journal of chemical physics 133, 141103, 2010
1322010
Analytical derivative coupling for multistate CASPT2 theory
JW Park, T Shiozaki
Journal of chemical theory and computation 13 (6), 2561-2570, 2017
1292017
On-the-fly CASPT2 surface-hopping dynamics
JW Park, T Shiozaki
Journal of chemical theory and computation 13 (8), 3676-3683, 2017
1262017
Nuclear energy gradients for internally contracted complete active space second-order perturbation theory: Multistate extensions
B Vlaisavljevich, T Shiozaki
Journal of chemical theory and computation 12 (8), 3781-3787, 2016
1192016
Explicitly correlated multireference configuration interaction with multiple reference functions: Avoided crossings and conical intersections
T Shiozaki, HJ Werner
The Journal of chemical physics 134 (18), 2011
1192011
Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations
T Shiozaki, M Kamiya, S Hirata, EF Valeev
The Journal of chemical physics 129 (7), 2008
1152008
Analytical energy gradients for second-order multireference perturbation theory using density fitting
W Győrffy, T Shiozaki, G Knizia, HJ Werner
The Journal of Chemical Physics 138 (10), 2013
1142013
Multireference electron correlation methods: Journeys along potential energy surfaces
JW Park, R Al-Saadon, MK MacLeod, T Shiozaki, B Vlaisavljevich
Chemical Reviews 120 (13), 5878-5909, 2020
1072020
Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory
MK MacLeod, T Shiozaki
The Journal of Chemical Physics 142 (5), 2015
1062015
Model Hamiltonian analysis of singlet fission from first principles
SM Parker, T Seideman, MA Ratner, T Shiozaki
The Journal of Physical Chemistry C 118 (24), 12700-12705, 2014
1022014
On the difference between variational and unitary coupled cluster theories
G Harsha, T Shiozaki, GE Scuseria
The Journal of chemical physics 148 (4), 2018
962018
Higher-order explicitly correlated coupled-cluster methods
T Shiozaki, M Kamiya, S Hirata, EF Valeev
The Journal of chemical physics 130 (5), 2009
912009
Equations of explicitly-correlated coupled-cluster methods
T Shiozaki, M Kamiya, S Hirata, EF Valeev
Physical Chemistry Chemical Physics 10 (23), 3358-3370, 2008
892008
Canonical transcorrelated theory with projected Slater-type geminals
T Yanai, T Shiozaki
The Journal of chemical physics 136 (8), 2012
752012
Second-and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states
T Shiozaki, K Hirao, S Hirata
The Journal of chemical physics 126 (24), 2007
702007
Communication: Active-space decomposition for molecular dimers
SM Parker, T Seideman, MA Ratner, T Shiozaki
The Journal of chemical physics 139 (2), 2013
572013
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Artikelen 1–20