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 · Wed Aug 15 00:00:00 EDT 1979 · J. Chem. Phys.; (United States)

OSTI ID:6096473

Meier, P F; Hayes, E F; Ellison, F O

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), Vol. 71:4
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HELIUM HYDRIDES
POTENTIAL ENERGY
CHEMICAL REACTIONS
ELECTRONIC STRUCTURE
INTERATOMIC FORCES
MOLECULAR IONS
POLYATOMIC MOLECULES
CHARGED PARTICLES
ENERGY
HELIUM COMPOUNDS
HYDRIDES
HYDROGEN COMPOUNDS
IONS
MOLECULES
RARE GAS COMPOUNDS
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory