On the Nature of Electronic Transitions in Radicals: An Extended Single Excitation Configuration Interaction Method
Author:
Affiliation:
1. Department of Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California, 94720
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp952754j
Reference34 articles.
1. Self‐Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets
2. Toward a systematic molecular orbital theory for excited states
3. Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O
4. Single-reference theories of molecular excited states with single and double substitutions
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