iVI‐TD‐DFT: An iterative vector interaction method for exterior/interior roots of TD‐DFT-Reference-Cited by-同舟云学术

iVI‐TD‐DFT: An iterative vector interaction method for exterior/interior roots of TD‐DFT

Published:2018-10-11 Issue:9 Volume:40 Page:1023-1037
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Huang Chao¹,Liu Wenjian¹^ORCID

Affiliation:

1. Beijing National Center for Molecular SciencesInstitute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University Beijing, 100871 People's Republic of China

Funder

National Key R&D Program of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25569

Reference72 articles.

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

4. B. Liu C. Moler I. Shavitt Numerical Algorithms in Chemistry: Algebraic Methods 1978 Lawrence Berkeley Laboratory Berkeley CA 49

5. Computing interior eigenvalues of large matrices

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