Direct calculation of excited-state electronic energies and two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 80, Issue 2, 2009, Pages

  Gidofalvi, Gergely ^a,b   Mazziotti, David A ^c  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

CUMULANTS; DENSITY MATRIX; DINGER EQUATION; DIRECT CALCULATION; ELECTRON WAVE FUNCTIONS; ELECTRONIC ENERGIES; EXCITED-STATE ENERGY; FULL CONFIGURATION INTERACTION; HERMITIANS; MANY-ELECTRON ATOMS; MULTI REFERENCE; MULTICONFIGURATION; MULTIREFERENCE METHODS; N-REPRESENTABILITY; POTENTIAL ENERGY CURVES; REDUCED-DENSITY MATRIX; SELF-CONSISTENT FIELD; THEORETICAL FRAMEWORK; VERTICAL EXCITATION ENERGY;

COMPUTER SCIENCE; ELECTRONS; GROUND STATE; POSITION CONTROL; QUANTUM THEORY; WAVE FUNCTIONS;

EXCITED STATES;

EID: 68949119473     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.80.022507     Document Type: Article

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