An orbital picture extracted from correlated electronic wavefunctions and application to forbidden reactions: 70 years of the frontier orbital theory
Author:
Affiliation:
1. Fukui Institute for Fundamental Chemistry, Kyoto University, 606-8103 Kyoto, Japan
Funder
Japan Society for the Promotion of Science
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0059370
Reference72 articles.
1. Generalization of Classical Mechanics for Nuclear Motions on Nonadiabatically Coupled Potential Energy Surfaces in Chemical Reactions
2. Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field
3. Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm
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