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Modified—Hill-determinant method for the hydrogen molecular-ion problem

Modified—Hill-determinant method for the hydrogen molecular-ion problem The problem of the H 2 molecular ion is reinvestigated with the use of a method of truncated Hill determinants. Modified Hill determinants are found such that the truncations thereof form a convergent sequence. The wave functions obtained from the present formulation are expected to be more reliable than those reported earlier and in fact are shown to be orthonormal to one part in 10 6 . Equilibrium bond lengths ( R e ), stiffness constants, and the wave functions at R e for various states are presented. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review A American Physical Society (APS)

Modified—Hill-determinant method for the hydrogen molecular-ion problem

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Publisher
American Physical Society (APS)
Copyright
Copyright © 1983 The American Physical Society
ISSN
1094-1622
DOI
10.1103/PhysRevA.28.2042
Publisher site
See Article on Publisher Site

Abstract

The problem of the H 2 molecular ion is reinvestigated with the use of a method of truncated Hill determinants. Modified Hill determinants are found such that the truncations thereof form a convergent sequence. The wave functions obtained from the present formulation are expected to be more reliable than those reported earlier and in fact are shown to be orthonormal to one part in 10 6 . Equilibrium bond lengths ( R e ), stiffness constants, and the wave functions at R e for various states are presented.

Journal

Physical Review AAmerican Physical Society (APS)

Published: Oct 1, 1983

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