Examination of several density functionals in numerical Kohn-Sham calculations for atoms

International Journal of Quantum Chemistry

Volumn 82, Issue 5, 2001, Pages 227-241

  Andrae, Dirk ^a   Brodbeck, Ralf ^a   Hinze, Juergen ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

Exchange correlation energy functionals; Exchange only energy functionals; Finite difference method; Nonrelativistic density functional theory; Numerical self consistent Kohn Sham calculations

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CORRELATION METHODS; FINITE DIFFERENCE METHOD; PROBABILITY DENSITY FUNCTION;

EXCHANGE CORRELATION ENERGY FUNCTIONAL; EXCHANGE ONLY ENERGY FUNCTIONAL; NONRELATIVISTIC DENSITY FUNCTIONAL THEORY; NUMERICAL SELF CONSISTENT KOHN-SHAM CALCULATION;

ATOMS;

EID: 0035917464     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1043     Document Type: Article

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