Diatomics-in-molecules (DIM) formalism for the reaction AH/sup +/ +A'. -->. A+A'H/sup +/: A ground state potential energy surface for collinear He/sub 2/H/sup +/
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6096473
A valence-bond diatomics-in-molecules (DIM) formalism is applied to the study of proton rare-gas reactions of the type AH/sup +/+A'..-->..A +A'H/sup +/. The method is used to generate potential energy surfaces for the He/sub 2/H/sup +/ system. The DIM potential surface for this system is in good quantitative agreement with an LCAO--SCF--MO surface for the collinear arrangement, He--H--He/sup +/.
- Research Organization:
- Department of Chemistry, William Marsh Rice University, Houston, Texas 77001
- OSTI ID:
- 6096473
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 71:4; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGED PARTICLES
CHEMICAL REACTIONS
ELECTRONIC STRUCTURE
ENERGY
HELIUM COMPOUNDS
HELIUM HYDRIDES
HYDRIDES
HYDROGEN COMPOUNDS
INTERATOMIC FORCES
IONS
MOLECULAR IONS
MOLECULES
POLYATOMIC MOLECULES
POTENTIAL ENERGY
RARE GAS COMPOUNDS
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGED PARTICLES
CHEMICAL REACTIONS
ELECTRONIC STRUCTURE
ENERGY
HELIUM COMPOUNDS
HELIUM HYDRIDES
HYDRIDES
HYDROGEN COMPOUNDS
INTERATOMIC FORCES
IONS
MOLECULAR IONS
MOLECULES
POLYATOMIC MOLECULES
POTENTIAL ENERGY
RARE GAS COMPOUNDS