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Volumn 104, Issue 20, 2000, Pages 4755-4763

Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull π-conjugated systems

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRIC FIELDS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

EID: 0343169730     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993839d     Document Type: Article
Times cited : (533)

References (97)
  • 7
    • 0042457086 scopus 로고
    • Karna, S. P., Yeates, A. T., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC
    • Albert, I. D. L.; Marks, T. J.; Ratner, M. A. In Nonlinear Optical Materials, Theory and Modeling; Karna, S. P., Yeates, A. T., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC, 1995; Vol. 628, p 116.
    • (1995) Nonlinear Optical Materials, Theory and Modeling , vol.628 , pp. 116
    • Albert, I.D.L.1    Marks, T.J.2    Ratner, M.A.3
  • 81
    • 0003833820 scopus 로고    scopus 로고
    • Nalewajski, R. F., Ed.; Topics in Current Chemistry; Springer: Heidelberg, Germany
    • Gross, E. K. U.; Dobson, J. F.; Petersilka, M. In Density Functional Theory; Nalewajski, R. F., Ed.; Topics in Current Chemistry; Springer: Heidelberg, Germany, 1996.
    • (1996) Density Functional Theory
    • Gross, E.K.U.1    Dobson, J.F.2    Petersilka, M.3
  • 92
    • 33645950228 scopus 로고    scopus 로고
    • Basis and fit sets are available on-line at http://www.scm.com/Doc/ atomicdata.
  • 94
    • 33645931809 scopus 로고    scopus 로고
    • unpublished work
    • Jacquemin, D., unpublished work.
    • Jacquemin, D.1
  • 97
    • 33645957230 scopus 로고    scopus 로고
    • submitted for publication
    • Kirtman, B.; Champagne, B.; Bishop, D. M., submitted for publication. The restriction to qualitative aspects involves the fact that the amplitude of this field depends on chain length as well as upon the property.
    • Kirtman, B.1    Champagne, B.2    Bishop, D.M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.