Developing the random phase approximation into a practical post-Kohn-Sham correlation model

Journal of Chemical Physics

Volumn 129, Issue 11, 2008, Pages

  Furche, Filipp ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; COMPUTATIONAL COMPLEXITY; ELECTRIC EXCITATION; ELECTRON ENERGY LEVELS; ITERATIVE METHODS; PLASMA THEORY; POLYNOMIAL APPROXIMATION; WAVE FUNCTIONS;

A-STABLE; COMPUTATIONALLY EXPENSIVE; CORRELATION ENERGIES; CORRELATION MODELING; DENSITY-FUNCTIONAL; EIGEN MODES; ELECTRON PAIRS; ELECTRONIC EXCITATION ENERGIES; ELECTRONIC EXCITATIONS; FIRST-ORDER COUPLING; ITERATIVE ALGORITHMS; KOHN-SHAM ORBITALS; RANDOM-PHASE APPROXIMATION; SECOND ORDERS; SEMILOCAL FUNCTIONALS; SIGN FUNCTION; SYSTEM SIZES; WAVE-FUNCTION METHODS; WIDESPREAD USE; ZERO-ORDER; ZERO-POINT VIBRATIONAL ENERGIES;

CORRELATION METHODS;

EID: 52349088658     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2977789     Document Type: Article

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