Published May 15, 1983 | Version v1
Journal article Metadata-only

Theoretical investigation of the a 3μ+/sub u/, A 1μ+/sub u/, c 3μ+/sub g/, and C 1μ+/sub g/ potential energy curves of He2 and of He*(2 1S, 2 3S)+He scattering

Creators

  • 1. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260

Description

Potential energy curves for the a 3μ+/sub u/, A 1μ+/sub u/, c 3μ+/sub g/, and C 1μ+/sub g/ states of He2 are calculated using the MCSCF method. Comparison of the calculated dissociation energies and spectroscopic constants with the experimental values indicates that these are the most accurate theoretical curves reported to date for these states. The resulting curves are utilized to calculate the vibrational and rotational energy levels and to carry out He((2 1S)+He(1 1S) and He((2 3S)+He(1 1S) scattering calculations

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
78
Journal Issue
10
Series
J. Chem. Phys.
Journal Page Range
6190-6202
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
14780843
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOM-ATOM COLLISIONS; DIMERS; DISSOCIATION ENERGY; ELECTRONIC STRUCTURE; HELIUM; POTENTIAL ENERGY; ROTATIONAL STATES; SELF-CONSISTENT FIELD; VIBRATIONAL STATES
Descriptors DEC
ATOM COLLISIONS; COLLISIONS; ELEMENTS; ENERGY; ENERGY LEVELS; EXCITED STATES; NONMETALS; RARE GASES