Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach

Journal of Chemical Physics

Volumn 135, Issue 5, 2011, Pages

  Ko, Chaehyuk ^a   Pak, Michael V ^a   Swalina, Chet ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL SOLUTIONS; DYNAMICAL CORRELATIONS; ELECTRON-PROTON CORRELATION; FOUR ELECTRONS; GAUSSIANS; HARTREE-FOCK; HYBRID APPROACH; MODEL SYSTEM; NUCLEAR-ELECTRONIC ORBITALS; VARIATIONAL OPTIMIZATION;

ELECTRON ENERGY LOSS SPECTROSCOPY; KINETIC ENERGY; KINETICS; MOLECULAR ORBITALS; PROTONS;

ELECTRONS;

EID: 80051702361     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3611054     Document Type: Article

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