Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method

Journal of Chemical Physics

Volumn 138, Issue 24, 2013, Pages

  Sand, Andrew M ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED ELECTRON PAIR APPROXIMATIONS; ENERGY DIFFERENCES; GROUND-STATE ENERGIES; HARTREE-FOCK CALCULATIONS; LOCAL MOLECULAR ORBITAL; REDUCED-DENSITY MATRIX; REFERENCE WAVE FUNCTIONS; ROTATIONAL DEPENDENCE;

ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR ORBITALS;

ROTATION;

ARTICLE; ELECTRON; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

ELECTRONS; OXIDATION-REDUCTION; QUANTUM THEORY;

EID: 84879942836     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4811202     Document Type: Article

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