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Volumn 46, Issue 24, 1992, Pages 16135-16141

Electronic structure and nonlinear optical properties of the fullerenes C60 and C70: A valence-effective-Hamiltonian study

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EID: 0000225014     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.46.16135     Document Type: Article
Times cited : (97)

References (46)
  • 20
    • 84926580836 scopus 로고    scopus 로고
    • (b) C. Halvorson, T. W. Hagler, D. Moses, Y. Cao, and A. J. Heeger (unpublished).
  • 38
    • 84926555727 scopus 로고    scopus 로고
    • We note that we have also carried out semiempirical AM1 finite-field calculations for C60. This method appears to be inadequate to describe the hyperpolarizabilities of fullerenes. The total energy expansion with respect to applied field (up to E4) leads to a negative gamma value of - 2.59 times 10-35 esu, while the gamma value obtained from the dipole moment expansion approach is positive but much too small, 5.18 times 10-36 esu.
  • 41
    • 84926571279 scopus 로고    scopus 로고
    • Nonlinear Optical Properties of Organic Molecules and Crystals, edited by D. S. Chemla and J. Zyss (Academic, Orlando, FL, 1987); Conjugated Polymeric Materials: Opportunities in Electronics, Optoelectronics, and Molecular Electronics, Vol. 182 of NATO Advanced Study Institute, Series E: Applied Sciences, edited by J. L. Brédas and R. R. Chance (Kluwer, Dordrecht, 1990).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.