Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory-Reference-Cited by-同舟云学术

Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory

Published:2024-02-26 Issue:9 Volume:128 Page:1698-1706
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Calio Paul B.¹^ORCID,Hermes Matthew R.¹^ORCID,Bao Jie J.²^ORCID,Galván Ignacio Fdez.³^ORCID,Lindh Roland³^ORCID,Truhlar Donald G.²^ORCID,Gagliardi Laura¹⁴^ORCID

Affiliation:

1. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, Illinois 60637-1403, United States

2. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

3. Department of Chemistry-BMC, Uppsala University, Uppsala 75123, Sweden

4. Argonne National Laboratory, Lemont, Illinois 60439-4801, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c07048

Reference74 articles.

1. The Crossing of Potential Surfaces.

2. Internal Conversion in Polyatomic Molecules

3. Herzberg, G. Molecular Spectra and Molecular Structure. III. Electronic Spectra and Electronic Structure of Polyatomic Molecules; Van Nostrand Reinhold: New York, 1966; p 442ff.

4. Spectroscopic effects of conical intersections of molecular potential energy surfaces

5. Potential energy surfaces near intersections

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