Takashi Tsuchimochi
Takashi Tsuchimochi
godzilla.kobe-u.ac.jp üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
19842015
Projected hartree–fock theory
CA Jiménez-Hoyos, TM Henderson, T Tsuchimochi, GE Scuseria
The Journal of chemical physics 136 (16), 164109, 2012
1942012
What can density functional theory tell us about artificial catalytic water splitting?
MG Mavros, T Tsuchimochi, T Kowalczyk, A McIsaac, LP Wang, ...
Inorganic chemistry 53 (13), 6386-6397, 2014
1042014
Strong correlations via constrained-pairing mean-field theory
T Tsuchimochi, GE Scuseria
The Journal of chemical physics 131 (12), 121102, 2009
892009
Communication: ROHF theory made simple
T Tsuchimochi, GE Scuseria
The Journal of chemical physics 133 (14), 141102, 2010
502010
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach
T Kowalczyk, T Tsuchimochi, PT Chen, L Top, T Van Voorhis
The Journal of chemical physics 138 (16), 164101, 2013
472013
Density matrix embedding in an antisymmetrized geminal power bath
T Tsuchimochi, M Welborn, T Van Voorhis
The Journal of chemical physics 143 (2), 024107, 2015
462015
Bootstrap embedding: An internally consistent fragment-based method
M Welborn, T Tsuchimochi, T Van Voorhis
The Journal of chemical physics 145 (7), 074102, 2016
432016
Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals
GE Scuseria, T Tsuchimochi
The Journal of chemical physics 131 (16), 164119, 2009
412009
Constrained active space unrestricted mean-field methods for controlling spin-contamination
T Tsuchimochi, GE Scuseria
The Journal of chemical physics 134 (6), 064101, 2011
332011
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures
T Tsuchimochi, S Ten-no
The Journal of chemical physics 144 (1), 011101, 2016
322016
Extended Møller-Plesset perturbation theory for dynamical and static correlations
T Tsuchimochi, T Van Voorhis
The Journal of chemical physics 141 (16), 164117, 2014
302014
Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities
T Tsuchimochi, GE Scuseria, A Savin
The Journal of chemical physics 132 (2), 024111, 2010
302010
Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems
T Tsuchimochi
The Journal of chemical physics 143 (14), 144114, 2015
282015
Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment
T Tsuchimochi, S Ten-no
Journal of chemical theory and computation 12 (4), 1741-1759, 2016
272016
Application of the Sakurai‐Sugiura projection method to core‐excited‐state calculation by time‐dependent density functional theory
T Tsuchimochi, M Kobayashi, A Nakata, Y Imamura, H Nakai
Journal of computational chemistry 29 (14), 2311-2316, 2008
232008
Bridging single-and multireference domains for electron correlation: spin-extended coupled electron pair approximation
T Tsuchimochi, S Ten-No
Journal of chemical theory and computation 13 (4), 1667-1681, 2017
212017
Time-dependent projected Hartree-Fock
T Tsuchimochi, T Van Voorhis
The Journal of chemical physics 142 (12), 124103, 2015
202015
Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree–Fock theory
T Tsuchimochi, TM Henderson, GE Scuseria, A Savin
The Journal of chemical physics 133 (13), 134108, 2010
202010
Analytic energy gradients for constrained DFT-configuration interaction
B Kaduk, T Tsuchimochi, T Van Voorhis
The Journal of chemical physics 140 (18), 18A503, 2014
182014
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20