Effect of ground-state electron correlation on the (e,2e) reaction spectroscopy of H/sub 2/( /sup 1/. sigma. /sub g//sup +/)

Journal Article · Wed May 01 04:00:00 EDT 1985 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.31.3003· OSTI ID:5860535

Liu, J W; Smith, Jr, V H

A critical theoretical study of the electron momentum distributions obtained for H/sub 2/( /sup 1/..sigma../sub g//sup +/) by the (e,2e) reaction technique for transitions to the ground and the n = 2 and 3 excited states is presented. Two very highly electron correlated ground-state wave functions for H/sub 2/( /sup 1/..sigma../sub g//sup +/), each of which yields more than 96% of the ''exact'' binding energy and the exact Born-Oppenheimer wave function of H/sub 2/ /sup +/ in the ground and various excited states, were employed in the computations within the context of the plane-wave impulse approximation (PWIA). For the ground-state transition, the theoretical values computed from both correlated wave functions and a self-consistent-field wave function are all in relatively good agreement with experiments for recoil momenta in the range (0.11< or =q< or =1.0 a.u.). In order to discriminate among the various theoretical values reported here it is highly desirable to have experimental data for q smaller than 0.05 a.u. The experimental data for the transitions to the n = 2 excited states (2ssigma/sub g/, 2p..pi../sub u/, and 2psigma/sub u/) are surprisingly not in as good agreement with the theoretical values reported here. The failure to describe the transition to excited states with a molecular angular momentum quantum number other than zero may be due to (i) the inadequacy of the ground-state wave function, (ii) the failure of the Franck-Condon principle in the transition, (iii) the need to go beyond the PWIA, and/or (iv) the need for improved and extended experimental data.

• Research Organization: Division of Physics, National Research Council, Ottawa, Ontario, Canada K1A0R6
• OSTI ID: 5860535
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 31:5; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular &amp; Chemical Physics-- Atomic &amp; Molecular Properties &amp; Theory
640304 -- Atomic
Molecular &amp; Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
CATIONS
CHARGED PARTICLES
COLLISIONS
CORRELATIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON CORRELATION
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FUNCTIONS
GROUND STATES
HYDROGEN
HYDROGEN IONS
HYDROGEN IONS 2 PLUS
IONIZATION
IONS
MOLECULAR IONS
MOLECULE COLLISIONS
NONMETALS
WAVE FUNCTIONS