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Volumn 366, Issue 1-2, 1996, Pages 11-33

Numerical application of the coupled cluster theory with localized orbitals to polymers II. Optimal localization of Wannier functions and the correlation energy in different approximations

Author keywords

Correlation; Coupled cluster; Localized orbital; Polymer

Indexed keywords


EID: 11344292335     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(96)04518-6     Document Type: Article
Times cited : (24)

References (78)
  • 2
    • 0001802479 scopus 로고
    • J. Čížek, Adv. Chem. Phys., 14 (1969) 35; J. Čížek and J. Paldus, Int. J. Quant. Chem., 5 (1971) 359.
    • (1969) Adv. Chem. Phys. , vol.14 , pp. 35
    • Čížek, J.1
  • 4
    • 0000063192 scopus 로고
    • B.O. Roos, (ed.), Springer, Heidelberg
    • P.R. Taylor, in B.O. Roos, (ed.), Lecture Notes in Chemistry, Vol. 64, Springer, Heidelberg, 1994, p. 125.
    • (1994) Lecture Notes in Chemistry , vol.64 , pp. 125
    • Taylor, P.R.1
  • 14
    • 34250126673 scopus 로고
    • P. Pulay and S. Saebø, Theor. Chim. Acta, 69 (1986) 357; S. Saebø and P. Pulay, Chem. Phys. Lett., 113 (1986); P. Pulay, J. Chem. Phys., 85 (1986) 1703; Chem. Phys. Lett., 100 (1993) 151.
    • (1986) Theor. Chim. Acta , vol.69 , pp. 357
    • Pulay, P.1    Saebø, S.2
  • 15
    • 34250126673 scopus 로고
    • P. Pulay and S. Saebø, Theor. Chim. Acta, 69 (1986) 357; S. Saebø and P. Pulay, Chem. Phys. Lett., 113 (1986); P. Pulay, J. Chem. Phys., 85 (1986) 1703; Chem. Phys. Lett., 100 (1993) 151.
    • (1986) Chem. Phys. Lett. , vol.113
    • Saebø, S.1    Pulay, P.2
  • 16
    • 36549099035 scopus 로고
    • P. Pulay and S. Saebø, Theor. Chim. Acta, 69 (1986) 357; S. Saebø and P. Pulay, Chem. Phys. Lett., 113 (1986); P. Pulay, J. Chem. Phys., 85 (1986) 1703; Chem. Phys. Lett., 100 (1993) 151.
    • (1986) J. Chem. Phys. , vol.85 , pp. 1703
    • Pulay, P.1
  • 17
    • 34250126673 scopus 로고
    • P. Pulay and S. Saebø, Theor. Chim. Acta, 69 (1986) 357; S. Saebø and P. Pulay, Chem. Phys. Lett., 113 (1986); P. Pulay, J. Chem. Phys., 85 (1986) 1703; Chem. Phys. Lett., 100 (1993) 151.
    • (1993) Chem. Phys. Lett. , vol.100 , pp. 151
  • 19
    • 30244449561 scopus 로고
    • Ph.D. Thesis, Friedrich-Alexander-University Erlangen-Nürnberg
    • W. Förner, Ph.D. Thesis, Friedrich-Alexander-University Erlangen-Nürnberg, 1985.
    • (1985)
    • Förner, W.1
  • 37
    • 5644271621 scopus 로고
    • Friedrich-Alexander-University Erlangen-Nürnberg
    • S. Suhai, Habilitation Thesis, Friedrich-Alexander-University Erlangen-Nürnberg, 1983.
    • (1983) Habilitation Thesis
    • Suhai, S.1
  • 38
  • 44
    • 0039251739 scopus 로고
    • C.-M. Liegener, J. Phys., C18 (1985) 6011; J. Chem. Phys., 88 (1988) 6999.
    • (1985) J. Phys. , vol.C18 , pp. 6011
    • Liegener, C.-M.1
  • 45
    • 36549097384 scopus 로고
    • C.-M. Liegener, J. Phys., C18 (1985) 6011; J. Chem. Phys., 88 (1988) 6999.
    • (1988) J. Chem. Phys. , vol.88 , pp. 6999
  • 46
  • 50
    • 6444232323 scopus 로고
    • C.-M. Liegener and J. Ladik, Phys. Rev., B35 (1987) 6403; C.-M. Liegener, J. Chem. Phys., 88 (1988) 6999; C.-M. Liegener, Habilitation Thesis, Friedrich-Alexander-University, Erlangen-Nürnberg, 1988.
    • (1987) Phys. Rev. , vol.B35 , pp. 6403
    • Liegener, C.-M.1    Ladik, J.2
  • 51
    • 36549097384 scopus 로고
    • C.-M. Liegener and J. Ladik, Phys. Rev., B35 (1987) 6403; C.-M. Liegener, J. Chem. Phys., 88 (1988) 6999; C.-M. Liegener, Habilitation Thesis, Friedrich-Alexander-University, Erlangen-Nürnberg, 1988.
    • (1988) J. Chem. Phys. , vol.88 , pp. 6999
    • Liegener, C.-M.1
  • 52
    • 5644240973 scopus 로고
    • Friedrich-Alexander-University, Erlangen-Nürnberg
    • C.-M. Liegener and J. Ladik, Phys. Rev., B35 (1987) 6403; C.-M. Liegener, J. Chem. Phys., 88 (1988) 6999; C.-M. Liegener, Habilitation Thesis, Friedrich-Alexander-University, Erlangen-Nürnberg, 1988.
    • (1988) Habilitation Thesis
    • Liegener, C.-M.1
  • 53
    • 0001198298 scopus 로고
    • P. Otto, Phys. Rev., B45 (1992) 10876.
    • (1992) Phys. Rev. , vol.B45 , pp. 10876
    • Otto, P.1
  • 54
    • 0001681660 scopus 로고
    • H. Ehrenreich, F. Seitz and D. Turnbull (Eds), Academic, New York
    • E.I. Blount, in H. Ehrenreich, F. Seitz and D. Turnbull (Eds), Solid State Physics, Academic, Vol. 13, New York, 1963, p. 305.
    • (1963) Solid State Physics , vol.13 , pp. 305
    • Blount, E.I.1
  • 59
    • 0344954421 scopus 로고
    • W. Kohn, Phys. Rev., 110 (1958) 857; Phys. Rev., 115 (1959) 809, 1460; Phys. Rev., B7 (1970) 4388.
    • (1958) Phys. Rev. , vol.110 , pp. 857
    • Kohn, W.1
  • 60
    • 36149021109 scopus 로고
    • W. Kohn, Phys. Rev., 110 (1958) 857; Phys. Rev., 115 (1959) 809, 1460; Phys. Rev., B7 (1970) 4388.
    • (1959) Phys. Rev. , vol.115 , pp. 809
  • 61
    • 0344954421 scopus 로고
    • W. Kohn, Phys. Rev., 110 (1958) 857; Phys. Rev., 115 (1959) 809, 1460; Phys. Rev., B7 (1970) 4388.
    • (1970) Phys. Rev. , vol.B7 , pp. 4388
  • 65
    • 0041300874 scopus 로고    scopus 로고
    • Chair for Theoretical Chemistry, University Erlangen-Nürnberg, Egerlandstr.3, D-91058 Erlangen, Germany, unpublished
    • F. Bogar and J. Ladik, CMP2 program for quasi-one-dimensional chains, Chair for Theoretical Chemistry, University Erlangen-Nürnberg, Egerlandstr.3, D-91058 Erlangen, Germany, unpublished.
    • CMP2 Program for Quasi-one-dimensional Chains
    • Bogar, F.1    Ladik, J.2
  • 66
    • 5644301058 scopus 로고    scopus 로고
    • Chair for Theoretical Chemistry, University Erlangen-Nürnberg, Egerlandstr.3, D-91058 Erlangen, Germany, unpublished
    • C.-M. Liegener, CMP2 program for quasi-onedimensional chains, Chair for Theoretical Chemistry, University Erlangen-Nürnberg, Egerlandstr.3, D-91058 Erlangen, Germany, unpublished.
    • CMP2 Program for Quasi-onedimensional Chains
    • Liegener, C.-M.1
  • 72
    • 30244530728 scopus 로고    scopus 로고
    • unpublished results
    • M. Oppel and J. Ladik, unpublished results.
    • Oppel, M.1    Ladik, J.2
  • 76
    • 30244567495 scopus 로고    scopus 로고
    • To be published
    • W. Förner, To be published.
    • Förner, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.