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Volumn 93, Issue 4, 1996, Pages 211-233

Generalized doubly symbolic formulation for integral-driven direct configuration interaction method

Author keywords

Configuration interaction; Integral processing; Parallelism; Symbolic expression

Indexed keywords


EID: 0011803336     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf01113418     Document Type: Article
Times cited : (5)

References (29)
  • 3
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    • The Unitary Group. Springer, Berlin
    • Hinze J (ed) (1981) Lecture Notes in Chemistry 22, The Unitary Group. Springer, Berlin
    • (1981) Lecture Notes in Chemistry , vol.22
    • Hinze, J.1
  • 5
    • 85050513962 scopus 로고
    • Ab initio methods in quantum chemistry, Part 2, Wiley, Chichester
    • Lawley KP (ed) (1987) Advances in Chemical Physics 59, Ab initio methods in quantum chemistry, Part 2, Wiley, Chichester
    • (1987) Advances in Chemical Physics , vol.59
    • Lawley, K.P.1
  • 6
    • 0003622711 scopus 로고
    • Europe Summer School in quantum chemistry, Springer, Berlin
    • Roos BO (ed) (1992) Lecture Notes in Chemistry 58, Europe Summer School in quantum chemistry, Springer, Berlin
    • (1992) Lecture Notes in Chemistry , vol.58
    • Roos, B.O.1
  • 23
    • 7644231762 scopus 로고
    • a special issue for parallel MO calculations. Technical terms for the parallel computings (such as the "client/server") can be found in this issue
    • Theor Chim Acta 84 (1993) a special issue for parallel MO calculations. Technical terms for the parallel computings (such as the "client/server") can be found in this issue
    • (1993) Theor Chim Acta , vol.84
  • 24
    • 0000875331 scopus 로고
    • TCGMSG (theoretical chemistry group's message-passings): A portable message-passing toolkit
    • TCGMSG (theoretical chemistry group's message-passings): a portable message-passing toolkit, Horrison RJ (1991) Int J Quant Chem 40:847
    • (1991) Int J Quant Chem , vol.40 , pp. 847
    • Horrison, R.J.1
  • 26
    • 84986450150 scopus 로고
    • Almlöf J, Faegri Jr K, Korsell K (1982) J Comp Chem 3:385. They originally used the name "direct SCF". If one considers the direct-CI, which calculates the integrals in every iteration, the name would correspond to "direct-direct CI", which, as noted by Taylor [29], is not a good name. Thus, in the present text, the term "on-the-fly" is used for the direct integral usage
    • (1982) J Comp Chem , vol.3 , pp. 385
    • Almlöf, J.1    Faegri Jr., K.2    Korsell, K.3
  • 28
    • 7644228585 scopus 로고    scopus 로고
    • -Coordinates are taken from the internal database of the BIOCESS[E] computer-aided protein/ drug design system. NEC Corp, Tokyo
    • -Coordinates are taken from the internal database of the BIOCESS[E] computer-aided protein/ drug design system. NEC Corp, Tokyo


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.