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Volumn 109, Issue 23, 1998, Pages 10489-10498

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0038527530     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477731     Document Type: Article
Times cited : (485)

References (102)
  • 9
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    • in The Challenge of the d and f electrons, edited by D. R. Salahub and M. C. Zerner ACS, Washington, D.C.
    • A. D. Becke, in The Challenge of the d and f electrons, edited by D. R. Salahub and M. C. Zerner, ACS Symposium Series 394 (ACS, Washington, D.C., 1989), p. 165;
    • (1989) ACS Symposium Series 394 , pp. 165
    • Becke, A.D.1
  • 37
    • 1542579273 scopus 로고    scopus 로고
    • in Theoretical and Computational Modeling of NLO and Electronic Materials, edited by S. P. Karna and A. T. Yeates ACS, Washington, D.C.
    • B. I. Dunlap and S. P. Karna, in Theoretical and Computational Modeling of NLO and Electronic Materials, edited by S. P. Karna and A. T. Yeates, ACS Symposium Series 628 (ACS, Washington, D.C., 1996), p. 164.
    • (1996) ACS Symposium Series 628 , pp. 164
    • Dunlap, B.I.1    Karna, S.P.2
  • 56
    • 0002002831 scopus 로고    scopus 로고
    • For a recent review covering material through part of 1997 see
    • For a recent review covering material through part of 1997 see B. Kirtman and B. Champagne, Int. Rev. Phys. Chem. 16, 389 (1997).
    • (1997) Int. Rev. Phys. Chem. , vol.16 , pp. 389
    • Kirtman, B.1    Champagne, B.2
  • 87
    • 22244437049 scopus 로고    scopus 로고
    • Basis and fit sets are available on-line at
    • Basis and fit sets are available on-line at http://www.scm.com/Doc/atomicdata.
  • 89
    • 22244456527 scopus 로고    scopus 로고
    • unpublished results
    • B. Champagne, unpublished results.
    • Champagne, B.1
  • 92
    • 22244490771 scopus 로고
    • in edited by J. Jortner et al. D. Reidel, Dordrecht
    • J. M. André, in Large Finite Systems, edited by J. Jortner et al. (D. Reidel, Dordrecht, 1987) p. 277.
    • (1987) Large Finite Systems , pp. 277
    • André, J.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.