Separation of electron–electron and electron–proton correlation in multicomponent orbital-optimized perturbation theory
Author:
Affiliation:
1. Department of Chemistry, University of Missouri, Columbia, Missouri 65203, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/5.0006743
Reference43 articles.
1. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries
2. Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities
3. Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory
4. Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework
5. Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies
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