Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections

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Title
Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 8, Pages 3636-3653
Publisher
American Chemical Society (ACS)
Online
2016-06-23
DOI
10.1021/acs.jctc.6b00384

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