Multicomponent heat-bath configuration interaction with the perturbative correction for the calculation of protonic excited states
Author:
Affiliation:
1. Department of Chemistry, University of Missouri, Columbia, Missouri 65203, USA
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0076006
Reference80 articles.
1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2. Multireference Approaches for Excited States of Molecules
3. Quantum Chemistry and Dynamics of Excited States
4. Computational Vibrational Spectroscopy of Peptides and Proteins in One and Two Dimensions
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