An Improvement of the Resolution of the Identity Approximation for the Formation of the Coulomb Matrix

Journal of Computational Chemistry

Volumn 24, Issue 14, 2003, Pages 1740-1747

  Neese, Frank ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

ab initio electronic structure theory; Coulomb interaction; Density functional theory; Gaussian basis functions; RI approximation

Indexed keywords

ALGORITHMS; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION;

COULOMB MATRIX;

MOLECULAR DYNAMICS;

EID: 0141921680     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10318     Document Type: Article

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