Practical performance assessment of accompanying coordinate expansion recurrence relation algorithm for computation of electron repulsion integrals

Journal of Theoretical and Computational Chemistry

Volumn 4, Issue 1, 2005, Pages 139-149

  Katouda, Michio ^a   Kobayashi, Masato ^b   Nakai, Hiromi ^b   Nagase, Shigeru ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b WASEDA UNIVERSITY   (Japan)

Author keywords

ACE RR algorithm; CPU time; Electron repulsion integral; Pople type basis set; Practical performance assessment

Indexed keywords

AB INITIO CALCULATION; ALGORITHM; COMPUTER PROGRAM; CONFERENCE PAPER; ELECTRON; QUANTUM CHEMISTRY; THEORETICAL MODEL;

EID: 17644428016     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633605001374     Document Type: Conference Paper

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