Comparison of CIS- and EOM-CCSD-Calculated Adiabatic Excited-State Structures. Changes in Charge Density on Going to Adiabatic Excited States
Author:
Affiliation:
1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, and The Quantum Theory Project, University of Florida, Gainsville, Florida 32611
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp040558j
Reference43 articles.
1. The geometry and the inversion potential function of formaldehyde in the and electronic states
2. The Bent Excited State of Acetylene
3. Toward a systematic molecular orbital theory for excited states
4. Excited states of carbonyl compounds. 1. Formaldehyde and acetaldehyde
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