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Volumn 104, Issue 22, 1996, Pages 9040-9046

Relativistic and correlation effects on molecular properties. I. The dihalogens F2, Cl2, Br2, I2, and At2

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001087536     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471636     Document Type: Article
Times cited : (176)

References (29)
  • 3
    • 85033049375 scopus 로고
    • Gaussian, Inc., Pittsburgh, Pennsylvania
    • GAUSSIAN 92/DFT, Revision G.2, M. J. Frisch et al., Gaussian, Inc., Pittsburgh, Pennsylvania, 1993.
    • (1993) Revision G.2
    • Frisch, M.J.1
  • 4
    • 85033047421 scopus 로고    scopus 로고
    • MOLPRO94 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. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor
    • MOLPRO94 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. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
  • 6
    • 84981602959 scopus 로고
    • A more extensive description, including the open-shell formalism used and the details of the implementation is to be published elsewhere
    • L. Visscher, K. G. Dyall, and T. J. Lee, Int. J. Quantum Chem. Symp. 29, 411 (1995). A more extensive description, including the open-shell formalism used and the details of the implementation is to be published elsewhere.
    • (1995) Int. J. Quantum Chem. Symp. , vol.29 , pp. 411
    • Visscher, L.1    Dyall, K.G.2    Lee, T.J.3
  • 13
    • 85033053629 scopus 로고    scopus 로고
    • unpublished The extended Br basis set used in this work is available upon request
    • K. Fægri, Jr. (unpublished). The extended Br basis set used in this work is available upon request.
    • Fægri Jr., K.1
  • 15
    • 85033046556 scopus 로고    scopus 로고
    • unpublished. The extended I basis set used in this work is available upon request
    • K. Fægri, Jr. (unpublished). The extended I basis set used in this work is available upon request.
    • Fægri Jr., K.1
  • 24
    • 85033066795 scopus 로고    scopus 로고
    • private communication
    • W. A. de long (private communication).
    • De Long, W.A.1
  • 26
    • 85033036287 scopus 로고    scopus 로고
    • private communication
    • M. Dolg (private communication).
    • Dolg, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.