The 103rd CSJ Annual Meeting

Presentation information

Academic Program [Poster]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Poster

[P1-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 23, 2023 9:40 AM - 11:10 AM Poster Site (Morito Memorial Gymnasium)

[P1-2am-06] Total Electron Number Conservation and Fractional Occupation Number Based Divide-and-Conquer Time Dependent Coupled-Perturbed Method

Ryusei Nishimura1, Yoshikawa Takeshi2, Ken Sakata2, Hiromi Nakai1,3 (1. Waseda University, 2. Toho University, 3. Waseda Research Institute for Science and Engineering)

[Lang.] Japanese

Keywords:linear-scaling method, time dependent perturbed method, Hartree-Fock method, density functional method, non-local excited state