Tests of perturbative DFT total energy estimates implemented in a gaussian basis

International Journal of Quantum Chemistry

Volumn 100, Issue 3, 2004, Pages 245-253

  Zhu, Wuming ^a   Trickey, S B ^a  

^a University of Florida   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE MATERIALS; DECOMPOSITION; ENERGY UTILIZATION; INTERFACIAL ENERGY; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

DENSITY DISTRIBUTION; DENSITY FUNCTIONAL THEORY (DFT); GAUSSIAN TYPE ORBITALS (GTO); SELF CONSISTENT FIELD (SCF);

QUANTUM THEORY;

EID: 6344285606     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20261     Document Type: Article

References (28)

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