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Volumn 108, Issue 12, 1998, Pages 4761-4771

Use of Møller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON MONOXIDE; CONVERGENCE OF NUMERICAL METHODS; ELECTRONIC STRUCTURE; ELECTRONS; FLUORINE; FLUORINE COMPOUNDS; HYDRIDES; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; NITROGEN; QUANTUM THEORY;

EID: 0032022674     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476308     Document Type: Article
Times cited : (46)

References (38)
  • 2
    • 85034472679 scopus 로고    scopus 로고
    • note
    • The CADPAC electronic structure program is maintained by R. D. Amos, University of Cambridge.
  • 3
    • 85034471884 scopus 로고    scopus 로고
    • note
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, P. R. Taylor, and R. Lindh.
  • 4
    • 85034467464 scopus 로고    scopus 로고
    • note
    • ACES II is a computational chemistry package especially designed for CC and MBPT energy and gradient calculations. Elements of this package are: the self-consistent field, integral transformation, correlation energy, and gradient programs written by J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett; the VMOL integral and VPROPS property integral programs written by P. R. Taylor and J. Almlöf; a modified version of the integral derivative program ABACUS written by T. Helgaker, H. J. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor and the geometry optimization and vibrational analysis package written by J. F. Stanton and D. E. Bernholdt.
  • 9
    • 85034469800 scopus 로고
    • Intrinsic Errors in Correlated Electronic Structure Calculations on Molecules
    • Honolulu, Hawaii, 17-22 December unpublished
    • Intrinsic Errors in Correlated Electronic Structure Calculations on Molecules, T. H. Dunning, Jr., K. A. Peterson, and D. E. Woon, Pacific-Chem'95, Honolulu, Hawaii, 17-22 December 1995 (unpublished).
    • (1995) Pacific-Chem'95
    • Dunning Jr., T.H.1    Peterson, K.A.2    Woon, D.E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.