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Volumn 83, Issue 11, 1985, Pages 5760-5763

Variational calculation of dynamic second-order susceptibilities

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Indexed keywords


EID: 36549091506     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.449653     Document Type: Article
Times cited : (25)

References (31)
  • 3
    • 85034724336 scopus 로고    scopus 로고
    • [In this paper, and others in physical chemistry literature, [formula omitted] is called the (first) hyperpolarizability and denoted β, with [formula omitted]]
  • 29
    • 0002228895 scopus 로고
    • The original CNDO/S calculation [suffers from a systematic error. It has been discovered since that all off-diagonal dipole moment matrix elements in the CNDO/S method are incorrectly signed. This has been of no consequence for oscillator strength calculations. The systematic error was first discovered by Professor Pat Callis in calculations of two-photon transition matrix elements in dipolar molecules where it is of serious consequence, as it is for [formula omitted] calculations
    • (1979) Chem. Phys. Lett. , vol.64 , pp. 46
    • Morrell, J.A.1    Albrecht, A.C.2
  • 31
    • 85034726573 scopus 로고    scopus 로고
    • Values taken from Ref. 12. However, a mistaken conversion factor from a.u. to esu is being used in this reference. The values in Table III have been properly corrected


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.