메뉴 건너뛰기




Volumn 76, Issue 1, 2000, Pages 83-98

IPM Approach to Hubbard Model. Applications and Limitations of Restricted CI Calculations to Ground States of Some π Networks Containing Fused 5- And 6-Membered Rings

Author keywords

Configuration interaction; Fullerenes; Hubbard model; Size consistency corrections

Indexed keywords


EID: 0012331654     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)76:1<83::AID-QUA8>3.0.CO;2-4     Document Type: Article
Times cited : (3)

References (46)
  • 1
    • 0343390578 scopus 로고
    • Pariser, R.; Parr, R. G. J Chem Phys 1953, 21, 466-471, 767-776; Pople, J. A. Trans Faraday Soc 1953, 49, 1375-1385.
    • (1953) J Chem Phys , vol.21 , pp. 466-471
    • Pariser, R.1    Parr, R.G.2
  • 2
    • 34748873709 scopus 로고
    • Pariser, R.; Parr, R. G. J Chem Phys 1953, 21, 466-471, 767-776; Pople, J. A. Trans Faraday Soc 1953, 49, 1375-1385.
    • (1953) Trans Faraday Soc , vol.49 , pp. 1375-1385
    • Pople, J.A.1
  • 4
    • 0000454429 scopus 로고
    • Hubbard, J. Proc Roy Soc London A 1963, 276, 238-258; 1964, 281, 401-419.
    • (1964) Proc Roy Soc London A , vol.281 , pp. 401-419
  • 6
    • 0002155203 scopus 로고
    • Klein, D. J., Trinajstić, N., Eds.; Elsevier: New York
    • Soos, Z. G.; Ramasesha, S. In Valence Bond Theory and Chemical Structure; Klein, D. J., Trinajstić, N., Eds.; Elsevier: New York, 1990; p. 81-109; Ramasesha, S.; Soos, Z. G. J Chem Phys 1993, 98, 4015-4022; Wen, G.; Soos, Z. G. J Chem Phys 1998, 108, 2486-2494.
    • (1990) Valence Bond Theory and Chemical Structure , pp. 81-109
    • Soos, Z.G.1    Ramasesha, S.2
  • 7
    • 36449006502 scopus 로고
    • Soos, Z. G.; Ramasesha, S. In Valence Bond Theory and Chemical Structure; Klein, D. J., Trinajstić, N., Eds.; Elsevier: New York, 1990; p. 81-109; Ramasesha, S.; Soos, Z. G. J Chem Phys 1993, 98, 4015-4022; Wen, G.; Soos, Z. G. J Chem Phys 1998, 108, 2486-2494.
    • (1993) J Chem Phys , vol.98 , pp. 4015-4022
    • Ramasesha, S.1    Soos, Z.G.2
  • 8
    • 0001551896 scopus 로고    scopus 로고
    • Soos, Z. G.; Ramasesha, S. In Valence Bond Theory and Chemical Structure; Klein, D. J., Trinajstić, N., Eds.; Elsevier: New York, 1990; p. 81-109; Ramasesha, S.; Soos, Z. G. J Chem Phys 1993, 98, 4015-4022; Wen, G.; Soos, Z. G. J Chem Phys 1998, 108, 2486-2494.
    • (1998) J Chem Phys , vol.108 , pp. 2486-2494
    • Wen, G.1    Soos, Z.G.2
  • 12
    • 26644455766 scopus 로고
    • Paldus, J.; Takahashi, M.; Cho, R. W. H. Phys Rev B 1984, 30, 4267-4291; Takahashi, M.; Paldus, J. Phys Rev B 1985, 31, 5121-5142.
    • (1985) Phys Rev B , vol.31 , pp. 5121-5142
    • Takahashi, M.1    Paldus, J.2
  • 16
  • 17
    • 0021817011 scopus 로고
    • Duch, W.; Karwowski, J. Comp Phys Reports 1985, 2, 93-170; Karwowski, J. In Methods in Computational Molecular Physics; Diercksen, G. H. F.; Wilson, S., Eds.; Plenum: NATO ASI series, 1992; p. 65-98, and many references therein; J Math Chem 1998, 23, 127-149.
    • (1985) Comp Phys Reports , vol.2 , pp. 93-170
    • Duch, W.1    Karwowski, J.2
  • 18
    • 0021817011 scopus 로고
    • Diercksen, G. H. F.; Wilson, S., Eds.; Plenum: NATO ASI series, and many references therein
    • Duch, W.; Karwowski, J. Comp Phys Reports 1985, 2, 93-170; Karwowski, J. In Methods in Computational Molecular Physics; Diercksen, G. H. F.; Wilson, S., Eds.; Plenum: NATO ASI series, 1992; p. 65-98, and many references therein; J Math Chem 1998, 23, 127-149.
    • (1992) Methods in Computational Molecular Physics , pp. 65-98
    • Karwowski, J.1
  • 19
    • 0039389989 scopus 로고    scopus 로고
    • Duch, W.; Karwowski, J. Comp Phys Reports 1985, 2, 93-170; Karwowski, J. In Methods in Computational Molecular Physics; Diercksen, G. H. F.; Wilson, S., Eds.; Plenum: NATO ASI series, 1992; p. 65-98, and many references therein; J Math Chem 1998, 23, 127-149.
    • (1998) J Math Chem , vol.23 , pp. 127-149
  • 20
    • 0003268506 scopus 로고
    • Representation Theory of Finite Groups and Associative Algebras
    • Interscience: New York
    • Curtius, C. W.; Reiner, I. Representation Theory of Finite Groups and Associative Algebras; Pure and Applied Mathematics XI; Interscience: New York, 1962.
    • (1962) Pure and Applied Mathematics , vol.11
    • Curtius, C.W.1    Reiner, I.2
  • 21
    • 26144431562 scopus 로고
    • Löwdin, P. O. J Chem Phys 1951, 19, 1396-1401; J Math Phys 1962, 3, 969-982, 1171-1184.
    • (1951) J Chem Phys , vol.19 , pp. 1396-1401
    • Löwdin, P.O.1
  • 22
    • 35948947765 scopus 로고
    • Löwdin, P. O. J Chem Phys 1951, 19, 1396-1401; J Math Phys 1962, 3, 969-982, 1171-1184.
    • (1962) J Math Phys , vol.3 , pp. 969-982
  • 25
    • 0001281275 scopus 로고
    • Dagotto, E.; Moreo, A.; Ortolani, F.; Poilblanc, D.; Riera, J. Phys Rev B 1992, 45, 10741-10760; Matheiss, L. F. Phys Rev Lett 1987, 58, 1028-1030; Yu, J.; Freeman, A. J.; Xu, J. H. Phys Rev Lett 1987, 58, 1035-1037.
    • (1992) Phys Rev B , vol.45 , pp. 10741-10760
    • Dagotto, E.1    Moreo, A.2    Ortolani, F.3    Poilblanc, D.4    Riera, J.5
  • 26
    • 0001268782 scopus 로고
    • Dagotto, E.; Moreo, A.; Ortolani, F.; Poilblanc, D.; Riera, J. Phys Rev B 1992, 45, 10741-10760; Matheiss, L. F. Phys Rev Lett 1987, 58, 1028-1030; Yu, J.; Freeman, A. J.; Xu, J. H. Phys Rev Lett 1987, 58, 1035-1037.
    • (1987) Phys Rev Lett , vol.58 , pp. 1028-1030
    • Matheiss, L.F.1
  • 27
    • 0000269764 scopus 로고
    • Dagotto, E.; Moreo, A.; Ortolani, F.; Poilblanc, D.; Riera, J. Phys Rev B 1992, 45, 10741-10760; Matheiss, L. F. Phys Rev Lett 1987, 58, 1028-1030; Yu, J.; Freeman, A. J.; Xu, J. H. Phys Rev Lett 1987, 58, 1035-1037.
    • (1987) Phys Rev Lett , vol.58 , pp. 1035-1037
    • Yu, J.1    Freeman, A.J.2    Xu, J.H.3
  • 28
    • 0001496095 scopus 로고
    • Roos, B. O. Chem Phys Lett 1972, 15, 153-159; Roos, B. O.; Siegbahn, P. E. M. In Methods of Electronic Structure Theory; Schaefer, III, H. F., Ed.; Plenum: New York, 1977, p. 277-318.
    • (1972) Chem Phys Lett , vol.15 , pp. 153-159
    • Roos, B.O.1
  • 29
    • 0000411156 scopus 로고
    • Schaefer, H. F., Ed.; Plenum: New York
    • Roos, B. O. Chem Phys Lett 1972, 15, 153-159; Roos, B. O.; Siegbahn, P. E. M. In Methods of Electronic Structure Theory; Schaefer, III, H. F., Ed.; Plenum: New York, 1977, p. 277-318.
    • (1977) Methods of Electronic Structure Theory , vol.3 , pp. 277-318
    • Roos, B.O.1    Siegbahn, P.E.M.2
  • 32
    • 0003542843 scopus 로고
    • GRMS or Graphical Representation of Model Spaces
    • Springer: Berlin
    • Duch, W. GRMS or Graphical Representation of Model Spaces; Lecture Notes in Chemistry 42; Springer: Berlin, 1986.
    • (1986) Lecture Notes in Chemistry , vol.42
    • Duch, W.1
  • 33
    • 0001230737 scopus 로고
    • Yamanouchi, T. Proc Phys Math Soc Jpn 1937, 19, 436-450; Kotani, M.; Amemiya, A.; Ishiguro, E.; Kimura, T. Table of Molecular Integrals; Maruzen: Tokyo, 1955.
    • (1937) Proc Phys Math Soc Jpn , vol.19 , pp. 436-450
    • Yamanouchi, T.1
  • 35
    • 0004004549 scopus 로고
    • Edinburgh University Press: Edinburgh
    • Rutherford, D. E. Substitutional Analysis; Edinburgh University Press: Edinburgh, 1948; James, G. D.; Kerber, A. The Representation Theory of the Symmetric Group; Addison- Wesley: Reading, MA, 1981; Sagan, B. E. The Symmetric Group; Wadsworth & Brooks/Cole Mathematics Series: Pacific Grove, 1991.
    • (1948) Substitutional Analysis
    • Rutherford, D.E.1
  • 36
    • 0003973844 scopus 로고
    • Addison-Wesley: Reading, MA
    • Rutherford, D. E. Substitutional Analysis; Edinburgh University Press: Edinburgh, 1948; James, G. D.; Kerber, A. The Representation Theory of the Symmetric Group; Addison-Wesley: Reading, MA, 1981; Sagan, B. E. The Symmetric Group; Wadsworth & Brooks/Cole Mathematics Series: Pacific Grove, 1991.
    • (1981) The Representation Theory of the Symmetric Group
    • James, G.D.1    Kerber, A.2
  • 37
    • 0003823142 scopus 로고
    • Wadsworth & Brooks/Cole Mathematics Series: Pacific Grove
    • Rutherford, D. E. Substitutional Analysis; Edinburgh University Press: Edinburgh, 1948; James, G. D.; Kerber, A. The Representation Theory of the Symmetric Group; Addison- Wesley: Reading, MA, 1981; Sagan, B. E. The Symmetric Group; Wadsworth & Brooks/Cole Mathematics Series: Pacific Grove, 1991.
    • (1991) The Symmetric Group
    • Sagan, B.E.1
  • 39
    • 84987142859 scopus 로고
    • Daudel, R.; Pullman, B., Eds.; Reidel: Dordrecht
    • Davidson, E. R. In The World of Quantum Chemistry; Daudel, R.; Pullman, B., Eds.; Reidel: Dordrecht, 1974; Langhoff, R.; Davidson, E. R. Int J Quant Chem 1974, 8, 61-72.
    • (1974) The World of Quantum Chemistry
    • Davidson, E.R.1
  • 40
    • 84987142859 scopus 로고
    • Davidson, E. R. In The World of Quantum Chemistry; Daudel, R.; Pullman, B., Eds.; Reidel: Dordrecht, 1974; Langhoff, R.; Davidson, E. R. Int J Quant Chem 1974, 8, 61-72.
    • (1974) Int J Quant Chem , vol.8 , pp. 61-72
    • Langhoff, R.1    Davidson, E.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.