Nonadiabatic Molecular Dynamics Simulations of Correlated Electrons in Solution. 1. Full Configuration Interaction (CI) Excited-State Relaxation Dynamics of Hydrated Dielectrons-Reference-Cited by-同舟云学术

Nonadiabatic Molecular Dynamics Simulations of Correlated Electrons in Solution. 1. Full Configuration Interaction (CI) Excited-State Relaxation Dynamics of Hydrated Dielectrons

Published:2006-04-22 Issue:19 Volume:110 Page:9681-9691
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Larsen Ross E.¹,Schwartz Benjamin J.¹

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp055322%2B

Reference37 articles.

1. Molecular dynamics with electronic transitions

2. Proton transfer in solution: Molecular dynamics with quantum transitions

3. Methods for molecular dynamics with nonadiabatic transitions

4. Mean-field molecular dynamics with surface hopping

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