Efficient and accurate numerical integration of exchange-correlation density functionals

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 84, Issue 2, 2011, Pages

  Chang, Chun Min ^a   Russ, Nicholas J ^a   Kong, Jing ^a  

^a Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARK CALCULATIONS; COMPUTATIONAL PERFORMANCE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; EXCHANGE-CORRELATION DENSITY; EXCHANGE-CORRELATIONS; GAUSSIAN BASIS FUNCTIONS; LOW ENERGIES; NON-SMOOTH; NUMERICAL INTEGRATIONS; SPEED-UPS;

CARRIER CONCENTRATION; NUMERICAL METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 80051616990     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.84.022504     Document Type: Article

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