Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level-Reference-Cited by-同舟云学术

Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

Published:2017-03-28 Issue:12 Volume:146 Page:124123
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Nakai Hiromi¹²³⁴^ORCID,Yoshikawa Takeshi¹

Affiliation:

1. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan

2. Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan

3. CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

4. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology (MEXT)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference40 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. M. E. Casida, in Recent Advances in Density Functional Methods, edited by D. P. Chong (World Scientific, Singapore, 1995), Vol. 1, p. 155.

3. Time-dependent density-functional theory for molecules and molecular solids

4. Super-matrix methods

5. The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

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