메뉴 건너뛰기




Volumn 58, Issue 2, 1996, Pages 193-202

Nonempirical wave functions for very large molecules. I. The PRDDO / M method

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000861399     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)58:2<193::AID-QUA8>3.0.CO;2-T     Document Type: Article
Times cited : (21)

References (22)
  • 1
    • 36549098458 scopus 로고
    • S. Obara and A. Saika, J. Chem. Phys., 84, 3963 (1986); P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem., 40, 753 (1991), and references therein.
    • (1986) J. Chem. Phys. , vol.84 , pp. 3963
    • Obara, S.1    Saika, A.2
  • 2
    • 84987071591 scopus 로고
    • and references therein
    • S. Obara and A. Saika, J. Chem. Phys., 84, 3963 (1986); P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem., 40, 753 (1991), and references therein.
    • (1991) Int. J. Quantum Chem. , vol.40 , pp. 753
    • Gill, P.M.W.1    Pople, J.A.2
  • 4
  • 5
    • 16444375810 scopus 로고
    • R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Press, New York, 1989); B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993); T. Ziegler, Chem. Rev., 91, 651 (1991).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5612
    • Johnson, B.G.1    Gill, P.M.W.2    Pople, J.A.3
  • 6
    • 0344791553 scopus 로고
    • R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Press, New York, 1989); B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993); T. Ziegler, Chem. Rev., 91, 651 (1991).
    • (1991) Chem. Rev. , vol.91 , pp. 651
    • Ziegler, T.1
  • 7
    • 36849112768 scopus 로고
    • T. A. Halgren and W. N. Lipscomb, J. Chem. Phys., 58, 1569 (1973), T. A. Halgren and W. N. Lipscomb, Proc. Nat. Acad. Sci. U.S.A. 69, 652 (1972).
    • (1973) J. Chem. Phys. , vol.58 , pp. 1569
    • Halgren, T.A.1    Lipscomb, W.N.2
  • 18
    • 36849105254 scopus 로고    scopus 로고
    • manuscript in preparation
    • M. R. Flannery and J. Levy II, J. Chem. Phys., 50, 2938 (1970); D. S. Marynick, manuscript in preparation.
    • Marynick, D.S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.