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Volumn 122, Issue 2, 2005, Pages

Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference

Author keywords

[No Author keywords available]

Indexed keywords

ALGEBRAICAL FORMULAS; ELECTRONIC EXCITATION; SINGLE BONDS;

EID: 22944466115     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1824897     Document Type: Article
Times cited : (91)

References (66)
  • 8
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    • R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), pp. 1047-1131.
    • (1995) Modern Electronic Structure Theory , pp. 1047-1131
    • Bartlett, R.J.1
  • 13
    • 0001925878 scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York)
    • R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. 5, pp. 65-194.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65-194
    • Bartlett, R.J.1    Stanton, J.F.2
  • 22
    • 0002232881 scopus 로고
    • Methods in Computational Molecular Physics edited by S. Wilson and G. F. H. Diercksen (Plenum, New York)
    • J. Paldus, in Methods in Computational Molecular Physics, NATO ASI Series Vol. 293, edited by S. Wilson and G. F. H. Diercksen (Plenum, New York, 1992), pp. 99-194.
    • (1992) NATO ASI Series , vol.293 , pp. 99-194
    • Paldus, J.1
  • 29
    • 22944448484 scopus 로고    scopus 로고
    • note
    • The term "state specific" was first introduced by Jeziorski and Paldus in Ref. 18.
  • 35
    • 0002669436 scopus 로고    scopus 로고
    • New Methods in Quantum Theory edited by C. A. Tsipis, V. S. Popov, D. R. H. Herschbah, and J. S. Avery (Kluwer, Dordrecht)
    • I. Hubac, in New Methods in Quantum Theory, NATO ASI Series, edited by C. A. Tsipis, V. S. Popov, D. R. H. Herschbah, and J. S. Avery (Kluwer, Dordrecht, 1996), pp. 183-202;
    • (1996) NATO ASI Series , pp. 183-202
    • Hubac, I.1
  • 52
    • 22944431628 scopus 로고    scopus 로고
    • note
    • We are using standard notation for occupied (i,j,k,l,...) and vacant (a,b,c,d,...) spin orbitals.
  • 57
    • 22944457001 scopus 로고    scopus 로고
    • note
    • The possibility to use a formal reference determinant which do not give a contribution to the total wave function was also considered in Ref. 34 in connection with calculating electronic excited states.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.