Adiabatic and non-adiabatic corrections to properties of the hydrogen molecular cation and its isotopomers: dissociation energies and bond lengths
Adiabatic and non-adiabatic corrections to properties of the hydrogen molecular cation and its isotopomers: dissociation energies and bond lengths
A study is presented of adiabatic and non-adiabatic corrections to the dissociation energies and bond lengths of H-2(+), D-2(+) and HD+ in vibration-rotation levels of their ground electronic states, with particular attention to isotopic scaling. In previous work (Moss, R. E., 1999, Molec. Phys., 97, 1) on rotationless levels, an anomalous non-adiabatic correction to the bond length was found for v = 20, N = 0 of HD+. Other levels close to dissociation are identified that display anomalous non-adiabatic corrections to the dissociation energies and to the bond lengths. The source of these anomalies is discussed.
transformed hamiltonian theory, hd+, state
649-654
Moss, R.E.
5d410492-850a-4950-85fd-2deb89f60859
Valenzano, L.
5dc37261-a2d5-4d56-b7fc-059c1c4e7738
10 March 2002
Moss, R.E.
5d410492-850a-4950-85fd-2deb89f60859
Valenzano, L.
5dc37261-a2d5-4d56-b7fc-059c1c4e7738
Moss, R.E. and Valenzano, L.
(2002)
Adiabatic and non-adiabatic corrections to properties of the hydrogen molecular cation and its isotopomers: dissociation energies and bond lengths.
Molecular Physics, 100 (5), .
Abstract
A study is presented of adiabatic and non-adiabatic corrections to the dissociation energies and bond lengths of H-2(+), D-2(+) and HD+ in vibration-rotation levels of their ground electronic states, with particular attention to isotopic scaling. In previous work (Moss, R. E., 1999, Molec. Phys., 97, 1) on rotationless levels, an anomalous non-adiabatic correction to the bond length was found for v = 20, N = 0 of HD+. Other levels close to dissociation are identified that display anomalous non-adiabatic corrections to the dissociation energies and to the bond lengths. The source of these anomalies is discussed.
This record has no associated files available for download.
More information
Published date: 10 March 2002
Keywords:
transformed hamiltonian theory, hd+, state
Identifiers
Local EPrints ID: 19823
URI: http://eprints.soton.ac.uk/id/eprint/19823
ISSN: 0026-8976
PURE UUID: 18f05903-354a-4e50-8946-f88f3c175d6e
Catalogue record
Date deposited: 21 Feb 2006
Last modified: 08 Jan 2022 09:50
Export record
Contributors
Author:
R.E. Moss
Author:
L. Valenzano
Download statistics
Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.
View more statistics