Nishimoto Yoshio

Affiliation and department：

Research field (1)： Basic physical chemistry

Research theme for competitive and other funds (6)：

2023 - 2028 ラジカル生成過程の観測と追跡を可能とする高精度電子状態理論の開発
2020 - 2023 Conical Intersection Search Using a Multireference Perturbation Theory
2019 - 2022 Development and applications of quantum-chemical methods to treat large cells for periodic materials
2017 - 2020 Development of Higher-Order Analytic Derivatives and Applications to Large Systems
2016 - 2019 Large scale quantum-mechanical method development for amorphous materials and chemical reactions in soluion

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Papers (30)：

Yoshio Nishimoto. Analytic first-order derivatives of CASPT2 with IPEA shift. The Journal of Chemical Physics. 2023
Yoshio Nishimoto, Stefano Battaglia, Roland Lindh. Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods. Journal of Chemical Theory and Computation. 2022
Yoshio Nishimoto. Analytic gradients for restricted active space second-order perturbation theory (RASPT2). The Journal of Chemical Physics. 2021
Yoshio Nishimoto, Dmitri G. Fedorov. The fragment molecular orbital method combined with density-functional tight-binding and periodic boundary conditions. The Journal of Chemical Physics. 2021
Yoshio Nishimoto. Locating conical intersections using the quasidegenerate partially and strongly contracted NEVPT2 methods. Chemical Physics Letters. 2020. 744. 137219-137219

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