Variational Reduced-Density-Matrix Theory Applied to the Potential Energy Surfaces of Carbon Monoxide in the Presence of Electric Fields
Author:
Affiliation:
1. Department of Chemistry and the James Franck Institute, The University of Chicago, Chicago, Illinois 60637
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp056392j
Reference45 articles.
1. Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks
2. Particle‐Hole Matrix: Its Connection with the Symmetries and Collective Features of the Ground State
3. Two algorithms for the lower bound method of reduced density matrix theory
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