Vibrational heat-bath configuration interaction
Author:
Affiliation:
1. Department of Chemistry, Columbia University, New York, New York 10027, USA
2. Center for Computational Quantum Physics, Flatiron Institute, New York, New York 10010, USA
Funder
National Science Foundation
National Institutes of Health
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/am-pdf/10.1063/5.0035454
Reference54 articles.
1. Calculation of anharmonic vibrational spectroscopy of small biological molecules
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4. Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100)
5. MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules
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