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The Journal of Chemical Physics
Volumn 90, Issue 10, 1989, Pages 5443-5454
Absolute infrared transition moments for open shell diatomics from J dependence of transition intensities: Application to OH
Author keywords

[No Author keywords available]
Indexed keywords

EID: 0001747019     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.456450     Document Type: Article
Times cited : (42)
References (39)
  • 27
    • 85034907874 scopus 로고    scopus 로고
    • In practice, we actually account for J dependence in [formula omitted] by using a slightly more sophisticated expression for [formula omitted] which also includes the experimentally measured centrifugal distortion constants [formula omitted] and [formula omitted]
  • 28
    • 85034902295 scopus 로고    scopus 로고
    • From Table II, it can be seen that the overlap is predominantly linear in [formula omitted] [c is the largest coefficient in the expansion of Eq. (7)]. As [formula omitted] and [formula omitted] have opposite signs for [formula omitted] the overlaps are indeed of opposite sign.
  • 29
    • 85034908672 scopus 로고    scopus 로고
    • The Hönl-London factors result from a sum over [formula omitted] of the squares of dipole moment matrix elements: [formula omitted] These matrix elements factor into an Ω-dependent term and an Ω-independent term: [formula omitted] [formula omitted] where f depends only on [formula omitted] and [formula omitted] The square root of the Hönl-London factor, [formula omitted] [formula omitted] recovers the Ω dependent term of the dipole moment matrix elements while leaving the term for the sum over the [formula omitted] intact. We are therefore justified in our use of [formula omitted] in Eq. (23).
  • 30
    • 0003474751 scopus 로고
    • The numerical calculations solved the coupled eigenvalue equations (11a) and (11b) expressed in the Hund’s (a) basis, that is, [formula omitted]) using a relaxation technique. The calculations were done in single precision using 2000 points between 0.6 and 1.6 Å with the density of points being 4 times higher between 0.8 and 1.3 Å. Integrations were done using a cubic spline routine with 1/4 of the grid density used for the relaxation. The program used subroutines (pascal versions) from (Cambridge University, Cambridge)
    • (1986) Numerical Recipes: The Art of Scientific Computing
    • Press, W.H.1

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.