ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A solution of the wave equation for the nuclear motion of a diatomic molecule with an exponential potential function and the rotational term included has been performed by the Schrödinger-Infeld-Hull factorization method. Two different procedures have been followed for the factorization of the wave equation, and in each of them, as type-B factorization is incapable of producing wave functions, it has been transformed to type-C factorization, and a complete set of wave equations have been obtained. Of the two procedures, although the former appears to be more direct, the latter is the more accurate and generalized one.
Additional Material:
1 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560180502
