On the quenching of helium 2 /sup 3//ital S/: Potential energy curves for, and nonadiabatic, relativistic, and radiative couplings between, the /ital a/ /sup 3/. sigma. /sup +//sub /ital u//, /ital A/ /sup 1/. sigma. /sup +//sub /ital u//, /ital b/ /sup 3//Pi//sub /ital g//, /ital B/ /sup 1//Pi//sub /ital g//,

Journal Article · Thu Jun 15 00:00:00 EDT 1989 · J. Chem. Phys.; (United States)

OSTI ID:6199014

Yarkony, D R

This work considers the possible role of nonadiabatic effects in the collisional quenching of He(2 /sup 3//ital S/). The electronic structure aspects of a nonadiabatic-radiative decay mechanism are analyzed. In this mechanism the /ital a/ /sup 3/..sigma../sup +//sub /ital u// state is coupled by relativistic, rotational, and radiative interactions to the /ital A/ /sup 1/..sigma../sup +//sub /ital u// state which serves as a gateway to the /ital X/ /sup 1/..sigma../sup +//sub /ital g// (electronically quenched) state of He/sub 2/ through the spin-allowed dipole-allowed bound--free transition /ital A/ /sup 1/..sigma../sup +//sub /ital u// /r arrow//ital X/ /sup 1/..sigma../sup +//sub /ital g//. State averaged MCSCF/second-order CI wave functions for the ground /ital X/ /sup 1/..sigma../sup +//sub /ital g// state, and the excited, /ital a/ /sup 3/..sigma../sup +//sub /ital u//, /ital A/ /sup 1/..sigma../sup +//sub /ital u//, /ital b/ /sup 3//Pi//sub /ital g//, /ital B/ /sup 1//Pi//sub /ital g//, /ital c/ /sup 3/..sigma../sup +//sub /ital g//, and /ital C/ /sup 1/..sigma../sup +//sub /ital g// states (referred to here as the primary space) of He/sub 2/ were determined. Using these

• Research Organization: Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218(US)
• OSTI ID: 6199014
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 90:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CONFIGURATION INTERACTION
CORRECTIONS
COUPLING
DIMERS
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
ENERGY-LEVEL TRANSITIONS
FLUIDS
GASES
HELIUM
INTERMEDIATE COUPLING
J-J COUPLING
L-S COUPLING
MATRIX ELEMENTS
MOLECULES
NONMETALS
POTENTIAL ENERGY
RADIATIVE CORRECTIONS
RARE GASES