New method for computing properites of negative ion resonances with application to /sup 2/. sigma. /sup +//sub u/ states of H/sup -//sub 2/

Journal Article · Wed May 15 04:00:00 EDT 1985 · J. Chem. Phys.; (United States)

OSTI ID:5759787

DeRose, E; Gislason, E A; Sabelli, N H

A new method for computing properties of negative ion resonances is reported. The first step is to carry out a CI calculation of the lowest 15 or so states of proper symmetry of the negative ion system. A Feshbach projection-operator technique is then used to project out the various resonances from the CI states. The projection is based on the assumption that resonances have small expectation values for the one-electron operator z/sup 2/ and continuum states have large values. The energies, energy widths, and lifetimes of the resonances are then straightforward to calculate. The method has been applied to the /sup 2/..sigma../sup +//sub u/ states of H/sup -//sub 2/. Two resonances reported here have been seen by other workers, but a third, which lies 5.8 eV above the v = 0 level of H/sub 2/, has not been identified before. The implication of this resonance for electron-hydrogen scattering experiments is discussed.

• Research Organization: Computer Center and Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60680
• OSTI ID: 5759787
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 82:10; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
CHARGED PARTICLES
COLLISIONS
CONFIGURATION INTERACTION
ELECTRON ATTACHMENT
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONIC STRUCTURE
HYDROGEN IONS
HYDROGEN IONS 1 MINUS
IONS
MOLECULAR IONS
MOLECULE COLLISIONS