Issue 9, 2002

Theoretical studies of rotational and spin–orbit predissociation of the Ne·XH ([X with combining tilde]2Π, X = O,S) van der Waals complexes.

Abstract

The rotational and spin–orbit predissociation dynamics of Ne·XH ([X with combining tilde]2Π, X = O,S) complexes is investigated using the stabilization method of Mandelshtam et al. (Phys. Rev. A, 1994, 50, 2764) with ab initio potential surfaces. The calculations show large variations in the lifetimes of the Ne·XH complexes within narrow energy ranges. In particular, we found that the calculated lifetimes displayed strong dependencies on the parity of the state and on the projection of the angular momentum onto the internuclear axis. Comparisons with available experimental resonance energies and lifetimes are made and the results are found to be in good agreement.

Article information

Article type
Paper
Submitted
30 Nov 2001
Accepted
14 Jan 2002
First published
20 Mar 2002

Phys. Chem. Chem. Phys., 2002,4, 1564-1570

Theoretical studies of rotational and spin–orbit predissociation of the Ne·XH ([X with combining tilde]2Π, X = O,S) van der Waals complexes.

H. Lee and A. B. McCoy, Phys. Chem. Chem. Phys., 2002, 4, 1564 DOI: 10.1039/B110963D

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