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Abbreviated Journal Title

Phys. Rev. A

Keywords

Optics; Physics; Atomic; Molecular & Chemical

Abstract

Electron translation factors (ETF's) appropriate for slow atomic collisions may be constructed using switching functions. In this paper we derive a set of switching functions for the H2+ system by an analytical "two-center decomposition" of the exact molecular eigenstates. These switching functions are closely approximated by the simple form f=bη, where η is the "angle variable" of prolate spheroidal coordinates. For given united atom angular momentum quantum numbers (l,m), the characteristic parameter blm depends only on the quantity c2=-∊R22, where ∊ is the electronic binding energy and R the internuclear distance in a.u. The resulting parameters are in excellent agreement with those found in our earlier work by a heuristic "optimization" scheme based on a study of coupling matrix-element behavior for a number of H2+ states. An approximate extension to asymmetric cases (HeH2+) has also been made. Nonadiabatic couplings based on these switching functions have been used in recent close-coupling calculations for H+-H(1s) collisions and He2+-H(1s) collisions at energies 1.0-20 keV.

Journal Title

Physical Review A

Volume

24

Issue/Number

4

Publication Date

1-1-1981

Document Type

Article

Language

English

First Page

1768

Last Page

1779

WOS Identifier

WOS:A1981ML75100015

ISSN

1050-2947

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