Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.
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Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities.Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n-1OH (n = 1-3) reactions.
P2860
Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.
description
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name
Nuclear-electronic orbital red ...... s sets and open-shell systems.
@en
type
label
Nuclear-electronic orbital red ...... s sets and open-shell systems.
@en
prefLabel
Nuclear-electronic orbital red ...... s sets and open-shell systems.
@en
P2093
P2860
P356
P1476
Nuclear-electronic orbital red ...... s sets and open-shell systems.
@en
P2093
Andrew Sirjoosingh
Kurt R Brorsen
Michael V Pak
P2860
P304
P356
10.1063/1.4921304
P407
P577
2015-06-01T00:00:00Z