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Volumn 123, Issue 8, 2005, Pages

Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED-CLUSTER METHOD; SPIN-FLIP (SF) COUNTERPART; WAVE FUNCTION;

EID: 26444474685     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2006091     Document Type: Article
Times cited : (120)

References (68)
  • 30
    • 4143105620 scopus 로고    scopus 로고
    • This may not be so for the high-spin (triplet or quartet) states, when the results of ROHF- and UHF-based CCSD and CCSD(T) differ considerably, as in A. M. C. Cristian, Y. Shao, and A. I. Krylov, J. Phys. Chem. A 108, 6581 (2004).
    • (2004) J. Phys. Chem. A , vol.108 , pp. 6581
    • Cristian, A.M.C.1    Shao, Y.2    Krylov, A.I.3
  • 42
    • 26444578373 scopus 로고    scopus 로고
    • Ph. D. thesis, University of Georgia, Athens, GA
    • C. D. Sherrill, Ph. D. thesis, University of Georgia, Athens, GA, 1996.
    • (1996)
    • Sherrill, C.D.1
  • 46
    • 0005747953 scopus 로고
    • Spectra of diatomic molecules
    • Van Nostrand Reinhold, New York
    • G. Herzberg, Spectra of Diatomic Molecules, Molecular Spectra and Molecular Structure Vol. I., (Van Nostrand Reinhold, New York, 1950).
    • (1950) Molecular Spectra and Molecular Structure , vol.1
    • Herzberg, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.