Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)-Reference-Cited by-同舟云学术

Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)

Published:2021-03-02 Issue:9 Volume:125 Page:1994-2006
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Baek Yong Su¹^ORCID,Lee Seunghoon²^ORCID,Filatov Michael¹^ORCID,Choi Cheol Ho¹^ORCID

Affiliation:

1. Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea

2. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c11294

Reference82 articles.

1. The Crossing of Potential Surfaces.

2. Intersection of potential energy surfaces in polyatomic molecules

3. The intersection of potential energy surfaces in polyatomic molecules

4. Potential energy surfaces near intersections

5. Diabolical conical intersections

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