ISSN:
1432-2234
Keywords:
Multichannel Schrödinger equation
;
Diabatic, adiabatic and post-adiabatic representations
;
Van der Waals interactions of O, F, Cl atoms
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Various properties of post-adiabatic representations of multichannel Schrödinger equations are described in the general context of adiabatic and classical path approximations as used in atomic and molecular physics. The van der Waals interactions of fluorine, chlorine, and oxygen atoms with rare gases, hydrogen, methane, and hydrogen halides are considered: it is found that in some of these systems, the first-order post-adiabatic scheme exhibits a smaller coupling than the adiabatic representation, thus providing an appropriate choice of the basis functions for a decoupling approximation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113470
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