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Volumn 70, Issue 4-5, 1998, Pages 601-611

Investigation of an asymmetric triple-excitation correction for coupled-cluster energies

Author keywords

Analytic energy gradient theory; Coupled cluster theory; Equation of motion coupled cluster theory; Perturbation theory; Triple excitation corrections

Indexed keywords


EID: 0000927460     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1998)70:4/5<601::aid-qua6>3.0.co;2-z     Document Type: Article
Times cited : (166)

References (66)
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    • 0001925878 scopus 로고
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    • R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds. (VCH, New York, 1994), Vol. 5, Chap. 2, pp. 65-169.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65-169
    • Bartlett, R.J.1    Stanton, J.F.2
  • 4
    • 0001039562 scopus 로고
    • in Modern Electronic Structure Theory, No. 2 D. R. Yarkony, Ed. World Scientific, Singapore, Chap. 16
    • R. J. Bartlett, in Modern Electronic Structure Theory, No. 2 in Advanced Series in Physical Chemistry, D. R. Yarkony, Ed. (World Scientific, Singapore, 1995), Chap. 16, pp. 1047-1131.
    • (1995) Advanced Series in Physical Chemistry , pp. 1047-1131
    • Bartlett, R.J.1
  • 6
    • 36549092221 scopus 로고
    • erratum: 89, 3401 (1988)
    • J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987), erratum: 89, 3401 (1988).
    • (1987) J. Chem. Phys. , vol.86 , pp. 7041
    • Noga, J.1    Bartlett, R.J.2
  • 40
    • 3342876111 scopus 로고    scopus 로고
    • note
    • J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, ACES II. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlof and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
  • 61
    • 28944448300 scopus 로고
    • d(O) = 1.211, as optimized by L. T. Redmon, G. D. Purvis, and R. J. Bartlett, J. Am. Chem. Soc. 101, 2856 (1979).
    • (1970) J. Chem. Phys. , vol.53 , pp. 2823
    • Dunning, T.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.