Theoretical investigation of /sup 2/. sigma. /sup +//sub u/ resonance states of H/sup -//sub 2/
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:5423726
We have applied a new method for computing properties of molecular negative ion resonances to calculate the potential curves of the first three /sup 2/..sigma../sup +//sub u/ states of H/sup -//sub 2/. The energy widths and lifetimes of the resonances are also calculated. The first and third resonances correlate to H+H/sup -/ asymptotes at R = infinity, but the second resonance disappears near R = 6.0 a.u. The resonance properties are shown to be insensitive to variations in the basis set. The results are compared to recent calculations on this system.
- Research Organization:
- Department of Chemistry and Computer Center, University of Illinois at Chicago, Chicago, Illinois 60680
- OSTI ID:
- 5423726
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 88:8; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Journal Article
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Fri May 01 00:00:00 EDT 1987
· J. Chem. Phys.; (United States)
·
OSTI ID:6687977
A new method for computing the properties of negative ion resonances with applications to H sub 2 sup minus , H sup minus and HF sup minus
Thesis/Dissertation
·
Thu Dec 31 23:00:00 EST 1987
·
OSTI ID:5931345
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 00:00:00 EDT 1985
· J. Chem. Phys.; (United States)
·
OSTI ID:5759787
Related Subjects
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
CHARGED PARTICLES
COLLISIONS
ELECTRON ATTACHMENT
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
HYDROGEN
HYDROGEN IONS
IONS
LIFETIME
MOLECULE COLLISIONS
NONMETALS
POTENTIAL ENERGY
RESONANCE
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
CHARGED PARTICLES
COLLISIONS
ELECTRON ATTACHMENT
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
HYDROGEN
HYDROGEN IONS
IONS
LIFETIME
MOLECULE COLLISIONS
NONMETALS
POTENTIAL ENERGY
RESONANCE