LIBERI: Library for numerical evaluation of electron-repulsion integrals

Computer Physics Communications

Volumn 181, Issue 8, 2010, Pages 1455-1463

  Toyoda, Masayuki ^a   Ozaki, Taisuke ^a  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

Author keywords

Ab initio calculations; Exchange interactions; Exchange correlation functionals

Indexed keywords

AB INITIO CALCULATIONS; BASIS FUNCTIONS; CATALOGUE IDENTIFIERS; DISTRIBUTED PROGRAM; ELECTRON REPULSION INTEGRALS; EXCHANGE-CORRELATION FUNCTIONALS; IRELAND; NUCLEAR POSITIONS; NUMERICAL EVALUATIONS; OPERATING SYSTEMS; PROGRAMMING LANGUAGE; REPULSION INTEGRALS; RUNNING TIME; SCREENING EFFECT; SOLUTION METHODS; TEST DATA;

CALCULATIONS; COMPUTER OPERATING SYSTEMS; COMPUTER PROGRAMMING; ELECTRONS; EXCHANGE INTERACTIONS; RADAR ABSORBING MATERIALS; TEST FACILITIES; WAVELET TRANSFORMS;

FOURIER TRANSFORMS;

EID: 77953130954     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2010.03.019     Document Type: Article

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