ALGEBRAIC APPROACH TO CLOSED FORMULATION OF KRATZER POTENTIAL INTEGRALS

Citation
J. Morales et al., ALGEBRAIC APPROACH TO CLOSED FORMULATION OF KRATZER POTENTIAL INTEGRALS, Journal of mathematical chemistry, 21(3), 1997, pp. 273-283
Citations number
14
Categorie Soggetti
Chemistry,Mathematics
ISSN journal
02599791
Volume
21
Issue
3
Year of publication
1997
Pages
273 - 283
Database
ISI
SICI code
0259-9791(1997)21:3<273:AATCFO>2.0.ZU;2-C
Abstract
In this work, closed form expressions for the calculation of the Kratz er potential integrals are obtained by means of a procedure based on t he algebraic representation of the Kratzer eigenfunctions along with t he usual ladder properties and commutation relations. For that, the ex act formulae for matrix elements are achieved with the aid of the rais ing operator applied repeatedly over the ket and with the lowering ope rator acting reiteratively over the bra for the symmetric closed form expression. Comparatively, the formulae algebraically obtained in this work are quite similar to the ones derived from usual methods involvi ng the evaluation of integrals. Besides, when considering some particu lar cases the results show that the closed formulae that comes from th e algebraic procedure are an improvement to the closed form expression s already published.