scholarly journals Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules

2006 ◽  
Vol 125 (1) ◽  
pp. 014109 ◽  
Author(s):  
Valerie Rodriguez-Garcia ◽  
Kiyoshi Yagi ◽  
Kimihiko Hirao ◽  
Suehiro Iwata ◽  
So Hirata
Keyword(s):  
Polyatomic Molecules ◽  
Wave Functions ◽  
Condon Factors ◽  
Franck Condon

A comparison of different approaches to the calculation of franck-condon factors for polyatomic molecules

1977 ◽  
Vol 34 (6) ◽  
pp. 1759-1770 ◽  
Author(s):  
W. Domcke ◽  
L.S. Cederbaum ◽  
H. Köppel ◽  
W. von Niessen
Keyword(s):  
Polyatomic Molecules ◽  
Condon Factors ◽  
Franck Condon

scholarly journals Committee 5: Molecular Spectra

1970 ◽  
Vol 14 (1) ◽  
pp. 137-140
Author(s):  
J. G. Phillips
Keyword(s):  
Laboratory Study ◽  
Polyatomic Molecules ◽  
Molecular Spectra ◽  
Condon Factors ◽  
Ionization Limit ◽  
Complete Bibliography ◽  
Physics Department ◽  
Franck Condon ◽  
Vacuum Uv

The laboratory study of molecules of interest to astrophysicists has been progressing at a steady pace. A complete bibliography for the year September 1968 to September 1969, for instance, would show work on 68 molecules of possible interest; the diatomic and simpler polyatomic molecules. During this period 38 papers appeared on H2 alone, notably on its polarizability and the character of its spectrum near the ionization limit. Twenty-one papers on CO included studies in the vacuum UV, its Franck-Condon factors, chemiluminescence and IR absorptances. In the interests of saving space in this report, the detailed discussion of published work on each molecule of interest will be deleted. Instead, attention might be called to the fact that a complete card file bibliography is maintained by Phillips at Berkeley, and inquiries are welcome. In addition, a bi-monthly Newsletter is distributed from Berkeley in collaboration with S. P. Davis of the Physics Department.

Periodicity of the Oscillatory J Dependence of Diatomic Molecule Franck–Condon Factors

1975 ◽  
Vol 53 (16) ◽  
pp. 1560-1572 ◽  
Author(s):  
Robert J. Le Roy ◽  
Edward R. Vrscay
Keyword(s):  
Simple Formula ◽  
Radial Wave Function ◽  
Wave Functions ◽  
Final States ◽  
Rotational Constants ◽  
Radial Wave ◽  
Condon Factors ◽  
Oscillating Functions ◽  
Vibration Rotation ◽  
Franck Condon

Numerical calculations have shown that vibration–rotation interaction often contributes significantly to the J dependence of transition intensities of diatomic molecules. This occurs because centrifugal displacements of the vibrational wave functions cause the Franck–Condon amplitudes (radial overlap integrals) to behave as oscillating functions of J(J + 1). The present paper discusses the origin of this behavior and derives and tests a simple formula for predicting the periodicity of such oscillations. This procedure requires only a knowledge of the rotational constants and vibrational spacings of the initial and final states. It utilizes the result that the average centrifugal displacement rate of a diatomic molecule's radial wave function is approximately [Formula: see text], where Bν and Dν are the usual diatomic rotational constants.

scholarly journals Franck-Condon factors and r-centroids for the diatomic fluorides of germanium and silicon

2008 ◽  
Vol 73 (5) ◽  
pp. 555-560
Author(s):  
S. Kanagaprabha ◽  
Rajeswara Palanichamy ◽  
V. Sathiyabama
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Close Agreement ◽  
Band System ◽  
Potential Energy Function ◽  
Wave Functions ◽  
Integration Technique ◽  
Condon Factors ◽  
Franck Condon ◽  
Suitable Potential

A suitable potential energy function was found by analysing the potential functions proposed by Morse, Mohammad and Rafi et al. for the A2?+-X2?3/2 and B2?+-X2?3/2 band systems of GeF and the 1?-1? band system of SiF. It was found that the potential proposed by Rafi et al. is in close agreement with the Rydberg-Klein-Rees (R-K-R) potential. Using this potential, the wave functions were evaluated by the Wentzel-Kramer-Brillouin (W-K-B) method. The Franck-Condon factors and r-centroids were computed by a numerical integration technique. The results are compared with available theoretical values. The intensities of the various bands were investigated.

Franck—Condon Factors for Polyatomic Molecules

1964 ◽  
Vol 41 (11) ◽  
pp. 3453-3463 ◽  
Author(s):  
T. E. Sharp ◽  
H. M. Rosenstock
Keyword(s):  
Polyatomic Molecules ◽  
Condon Factors ◽  
Franck Condon
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