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Volumn 107, Issue 23, 1997, Pages 9980-9984

Spin-restricted Brueckner orbitals for coupled-cluster wavefunctions

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Indexed keywords


EID: 0001141276     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475302     Document Type: Article
Times cited : (31)

References (49)
  • 5
    • 0001039562 scopus 로고
    • No. 2 in Advanced Series in Physical Chemistry, edited by D. R. Yarkony World Scientific, Singapore, Chap. 16
    • R. J. Bartlett, in Modern Electronic Structure Theory, No. 2 in Advanced Series in Physical Chemistry, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Chap. 16, p. 1047.
    • (1995) Modern Electronic Structure Theory , pp. 1047
    • Bartlett, R.J.1
  • 31
    • 85033318084 scopus 로고    scopus 로고
    • note
    • Aα amplitudes could not be made zero simultaneously. All single-excitation amplitudes involving the open-shell orbitals have been used in the orbital rotation definition in the RB-CCD theory described in this work.
  • 42
    • 85033293401 scopus 로고    scopus 로고
    • note
    • J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett, ACES II. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf 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.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.