ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
An asymptotic expansion method has been used to calculate the Morse matrix elements for the vibration-rotation transition. A general expression has been derived for the quartic matrix elements, which can be reduced to the expressions for the cubic, quadratic, and linear matrix elements. The results agree extremely well with those given by the factorization method outlined by Badawi et al., and are similar to those given by Coquant et al., who used quite complicated and lengthy equations based on the Dunham potential. Earlier works to calculate the electronic transition probability parameters utilizing the above mentioned asymptotic expansion technique have also been extended and modified.
Zusätzliches Material:
2 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560220109
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