Exact exchange-correlation treatment of dissociated H2 in density functional theory

Physical Review Letters

Volumn 87, Issue 13, 2001, Pages

  Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DISSOCIATION; FERMI LEVEL; HYDROGEN; INTEGRODIFFERENTIAL EQUATIONS; PERTURBATION TECHNIQUES; POLARIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; EXCHANGE CORRELATION TREATMENT; KOHN-SHAM SOLUTION; LOCAL DENSITY APPROXIMATION;

MOLECULAR DYNAMICS;

EID: 39249084230     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.87.133004     Document Type: Article

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