Accession Number:

ADA230956

Title:

Theoretical Study of the Radiative Lifetime for the Spin-Forbidden Transition a3 Summation of u+ to X1 Summation of g+ in He2

Descriptive Note:

Final rept. Sep 1986-Jul 1988

Corporate Author:

ARMY BALLISTIC RESEARCH LAB ABERDEEN PROVING GROUND MD

Personal Author(s):

• Chabalowski, Cary F.
• Jensen, James O.
• Yarkony, David R.
• Lengsfield, III, Byron H.

Report Date:

1990-12-01

Pagination or Media Count:

43.0

Abstract:

The radiative lifetime for the spin-forbidden, dipole allowed transition in neutral He2 was calculated. This transition is assumed to derive its intensity by spin-orbit S-O induced couplings which are treated using first-order perturbation theory. The first-order corrections to the wavefunctions are calculated directly in the configuration state function CSF basis by solving a set of linear equations given by first-order perturbation theory for the perturbation to the zeroth-order wavefunctions. This approach eliminates the need to solve explicitly for many eigenstates of the unperturbed Hamiltonian which would be required if the spectral representation for the perturbed wavefunction were used. The results show a rapidly changing electric transition dipole moment as a function of internuclear separation, RHe-He, over the bound region of a potential energy curve.

Descriptors:

• *QUANTUM CHEMISTRY
• CONFIGURATIONS
• CORRECTIONS
• COUPLINGS
• DIPOLES
• ELECTRIC MOMENTS
• FUNCTIONS
• GRAPHS
• HAMILTONIAN FUNCTIONS
• HELIUM
• LINEAR DIFFERENTIAL EQUATIONS
• PERTURBATION THEORY
• PERTURBATIONS
• POTENTIAL ENERGY
• RADIATION
• SPECTRA
• TIME
• TRANSITIONS
• WAVE FUNCTIONS

Subject Categories:

• Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE