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Relativistic corrections for the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation H-2(+)

Relativistic corrections for the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation H-2(+)
Relativistic corrections for the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation H-2(+)
Previous work [Moss, R. E., and Valenzano, L., 2002, Molec. Phys., 100, 649 and 1527] on the non-adiabatic properties of the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation is extended to the calculation of relativistic corrections. Unlike the earlier calculations, in which all matrix elements were evaluated analytically, numerical methods are needed for some of the integrals.
transformed hamiltonian theory, hd+, ion, dissociation, spectroscopy, isotopomers, spectrum
0026-8976
2635-2646
Moss, R E.
5d410492-850a-4950-85fd-2deb89f60859
Valenzano, L.
5dc37261-a2d5-4d56-b7fc-059c1c4e7738
Moss, R E.
5d410492-850a-4950-85fd-2deb89f60859
Valenzano, L.
5dc37261-a2d5-4d56-b7fc-059c1c4e7738

Moss, R E. and Valenzano, L. (2003) Relativistic corrections for the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation H-2(+). Molecular Physics, 101 (16), 2635-2646. (doi:10.1080/00268970310001592683).

Record type: Article

Abstract

Previous work [Moss, R. E., and Valenzano, L., 2002, Molec. Phys., 100, 649 and 1527] on the non-adiabatic properties of the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation is extended to the calculation of relativistic corrections. Unlike the earlier calculations, in which all matrix elements were evaluated analytically, numerical methods are needed for some of the integrals.

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Published date: 20 August 2003
Keywords: transformed hamiltonian theory, hd+, ion, dissociation, spectroscopy, isotopomers, spectrum

Identifiers

Local EPrints ID: 20051
URI: http://eprints.soton.ac.uk/id/eprint/20051
ISSN: 0026-8976
PURE UUID: 7fbcfa30-27c4-4726-9780-946bc1a95da2

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Date deposited: 24 Feb 2006
Last modified: 15 Mar 2024 06:21

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Contributors

Author: R E. Moss
Author: L. Valenzano

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