Orbital optimization in nonorthogonal multiconfigurational self-consistent field applied to the study of conical intersections and avoided crossings
Author:
Affiliation:
1. Department of Chemistry, University of Louisville, 2320 South Brook Street, Louisville, Kentucky 40292, USA
Funder
American Chemical Society Petroleum Research Fund
University of Louisville
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0053615
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5. Broken orbital symmetry and the description of valence hole states in the tetrahedral [CrO4]2? anion
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