메뉴 건너뛰기




Volumn 76, Issue 2, 2000, Pages 205-221

Gaussian Basis Sets for Use in Correlated Molecular Calculations. VIII. Standard and Augmented Sextuple Zeta Correlation Consistent Basis Sets for Aluminum Through Argon

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001204412     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)76:2<205::AID-QUA10>3.0.CO;2-C     Document Type: Article
Times cited : (137)

References (85)
  • 18
  • 33
  • 35
    • 50549162651 scopus 로고
    • (c) Kümmel, H. Nucl Phys 1961, 22, 177-183.
    • (1961) Nucl Phys , vol.22 , pp. 177-183
    • Kümmel, H.1
  • 36
    • 0001392512 scopus 로고
    • (d) Cizek, J. J Chem Phys 1966, 45, 4256-4266.
    • (1966) J Chem Phys , vol.45 , pp. 4256-4266
    • Cizek, J.1
  • 53
  • 61
    • 85037493524 scopus 로고    scopus 로고
    • note
    • MOLPRO 96 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, E.-A. Reinsch, A. J. Stone, P. R. Taylor.
  • 62
    • 85037494826 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 SCF, integral transformation, correlation energy, and gradient programs, written by A. J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauerdale, and R. J. Bartlett; the VMOL integral and VPROPS property integral programs written by P. R. Taylor and L. Almlöf; a modified version of the integral derivative program ABA
  • 63
    • 85037499702 scopus 로고    scopus 로고
    • note
    • CUS written by T. Helgaker, H. J. Jensen, P. Jørensen, J. Olsen, and P. R. Taylor; and the geometry optimization and vibrational analysis package written by J. F. Stanton and D. E. Bernholdt.
  • 71
    • 85037497427 scopus 로고    scopus 로고
    • to be published
    • Peterson, K. A., to be published.
    • Peterson, K.A.1
  • 76
    • 0000616460 scopus 로고    scopus 로고
    • Dolg, M. Mol Phys 1996, 88, 1645-1655.
    • (1996) Mol Phys , vol.88 , pp. 1645-1655
    • Dolg, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.