An evaluation of the radial part of numerical integration commonly used in DFT

Journal of Computational Chemistry

Volumn 25, Issue 11, 2004, Pages 1378-1384

  El Sherbiny, Aisha ^a   Poirier, Raymond A ^a  

^a MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

Ab initio; Electron density; Numerical integration; Pruning; Radial quadrature

Indexed keywords

ALGORITHMS; ATOMIC PHYSICS; CALCULATIONS; CARRIER CONCENTRATION; INTEGRATION; MOLECULAR PHYSICS; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION;

ATOMIC INTEGRAL; MULTIEXPONENTIAL INTEGRANDS; RADIAL MAPPINGS; RADIAL QUADRATURE;

QUANTUM THEORY;

EID: 3142724029     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20063     Document Type: Article

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