메뉴 건너뛰기




Volumn 5, Issue 24, 2003, Pages 5523-5529

Ab initio incremental correlation treatment with non-orthogonal localized orbitals

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; ENERGY; GEOMETRY; STRUCTURE ANALYSIS;

EID: 0348199052     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b308870g     Document Type: Article
Times cited : (27)

References (35)
  • 1
    • 0004116685 scopus 로고
    • Springer Series in Solid-State Sciences 100, Springer-Verlag, Berlin-Heidelberg, 3rd edn.
    • P. Fulde, Electron Correlations in Molecules and Solids, Springer Series in Solid-State Sciences 100, Springer-Verlag, Berlin-Heidelberg, 3rd edn., 1995.
    • (1995) Electron Correlations in Molecules and Solids
    • Fulde, P.1
  • 2
  • 14
    • 0004632879 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1968) Phys. Rev. B , vol.21 , pp. 13
    • Anderson, P.W.1
  • 15
    • 0003145399 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1968) Chem. Phys. Lett. , vol.2 , pp. 319
    • Diner, S.1    Malrieu, J.P.2    Claverie, P.3    Jordan, F.4
  • 16
    • 36749113123 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1974) J. Chem. Phys. , vol.60 , pp. 3744
    • Magnasco, V.1    Musso, G.F.2
  • 17
    • 0039301604 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 3787
    • Payne, P.W.1
  • 18
    • 0012802569 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1977) J. Chem. Phys. , vol.67 , pp. 2728
    • Mehler, E.L.1
  • 19
    • 0001078204 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1980) Theor. Chem. Acc. , vol.57 , pp. 169
    • Stoll, H.1    Wagenblast, G.2    Preuß, H.3
  • 20
    • 0000611188 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1982) Chem. Phys. Lett. , vol.89 , pp. 390
    • Mayer, I.1
  • 21
    • 0001723957 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1985) Theor. Chem. Acc. , vol.67 , pp. 461
    • Smits, G.F.1    Altona, C.2
  • 22
    • 0041841360 scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1988) J. Mol. Struct.: THEOCHEM , vol.165 , pp. 189
    • Weinhold, F.1    Carpenter, J.E.2
  • 23
    • 0031285819 scopus 로고    scopus 로고
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • (1997) Theor. Chem. Acc. , vol.97 , pp. 96
    • Couty, M.1    Bayse, C.A.2    Hall, M.B.3
  • 24
    • 26344463972 scopus 로고    scopus 로고
    • unpublished work
    • P. W. Anderson, Phys. Rev. B, 1968, 21, 13; S. Diner, J. P. Malrieu, P. Claverie and F. Jordan, Chem. Phys. Lett., 1968, 2, 319; V. Magnasco and G. F. Musso, J. Chem. Phys., 1974, 60, 3744; P. W. Payne, J. Am. Chem. Soc., 1977, 99, 3787; E. L. Mehler, J. Chem. Phys., 1977, 67, 2728; H. Stoll, G. Wagenblast and H. Preuß, Theor. Chem. Acc., 1980, 57, 169; I. Mayer, Chem. Phys. Lett., 1982, 89, 390; G. F. Smits and C. Altona, Theor. Chem. Acc., 1985, 67, 461; F. Weinhold and J. E. Carpenter, J. Mol. Struct.: THEOCHEM, 1988, 165, 189; M. Couty, C. A. Bayse and M. B. Hall, Theor. Chem. Acc., 1997, 97, 96; W. Müller, H.-J. Werner and P. Pulay, unpublished work.
    • Müller, W.1    Werner, H.-J.2    Pulay, P.3
  • 33
    • 0011006010 scopus 로고
    • R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner, MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, Version 2002.1, 2002; M. J. O. Deegan, P. J. Knowles, Chem. Phys. Lett., 1994, 227, 321.
    • (1994) Chem. Phys. Lett. , vol.227 , pp. 321
    • Deegan, M.J.O.1    Knowles, P.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.