Vibrational Configuration Interaction Using a Tiered Multimode Scheme and Tests of Approximate Treatments of Vibrational Angular Momentum Coupling: A Case Study for Methane
Author:
Affiliation:
1. Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp4011789
Reference72 articles.
1. Self‐consistent field energies and wavefunctions for coupled oscillators
2. Application of SCF-SI theory to vibrational motion in polyatomic molecules
3. Approximate and exact quantum mechanical energies and eigenfunctions for a system of coupled oscillators
4. A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems
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