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Theory for continuum resonance Raman scattering in diatomics using irreducible spherical tensors
Author(s) -
Baierl P.,
Kiefer W.
Publication year - 1981
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250100139
Subject(s) - diatomic molecule , raman scattering , resonance (particle physics) , excited state , atomic physics , raman spectroscopy , wave function , chemistry , x ray raman scattering , scattering , molecule , molecular physics , physics , quantum mechanics
A theory is presented which describes resonance Raman scattering via continuum electronic states of diatomic molecules. It is applied to the dissociative continuum of the bounded B ( 3 Π o + u )‐state and the continuum of the repulsive 1 Π 1 u state of the halogen molecules. Using spherical tensors and Wigner 3‐ j symbols, closed forms for the resonance Raman intensities for different polarizations are given, which allow first principle calculations for molecules for which the vibrational wavefunctions of ground and electronic excited states as well as the oscillator strengths are known from absorption of fluorescence data.