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The Journal of Physical Chemistry. A|September 10, 2025
Ultrafast Correlation Energy EstimatorMateusz Witkowski, Szymon Śmiga, So Hirata, et al.
The Journal of Chemical Physics|July 26, 2006
Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic moleculesValerie Rodriguez-Garcia, Kiyoshi Yagi, Kimihiko Hirao, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant WalkersSoohaeng Yoo Willow, Matthew R Hermes, Kwang S Kim, et al.
The Journal of Chemical Physics|October 19, 2005
Active-space coupled-cluster study of electronic states of Be3Karol Kowalski, So Hirata, Marta Włoch, et al.
Scientific Reports|September 25, 2015
Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property predictionSoohaeng Yoo Willow, Michael A Salim, Kwang S Kim, et al.
The Journal of Chemical Physics|July 23, 2004
Third-order Douglas-Kroll relativistic coupled-cluster theory through connected single, double, triple, and quadruple substitutions: applications to diatomic and triatomic hydridesSo Hirata, Takeshi Yanai, Wibe A de Jong, et al.
The Journal of Chemical Physics|January 19, 2007
High-order electron-correlation methods with scalar relativistic and spin-orbit correctionsSo Hirata, Takeshi Yanai, Robert J Harrison, et al.
The Journal of Chemical Physics|December 21, 2004
Combined coupled-cluster and many-body perturbation theoriesSo Hirata, Peng-Dong Fan, Alexander A Auer, et al.
The Journal of Chemical Physics|November 10, 2018
Monte Carlo explicitly correlated many-body Green's function theoryCole M Johnson, Alexander E Doran, Seiichiro L Ten-No, et al.
The Journal of Chemical Physics|October 27, 2016
Monte Carlo explicitly correlated second-order many-body perturbation theoryCole M Johnson, Alexander E Doran, Jinmei Zhang, et al.
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