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

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 a...

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Bibliographic Details
Main Authors: Chabalowski, Cary F, Jensen, James O, Yarkony, David R, Lengsfield, III, Byron H
Format: Report
Language:English
Subjects:
CONFIGURATIONS
CORRECTIONS
COUPLINGS
DIPOLES
ELECTRIC MOMENTS
FUNCTIONS
GRAPHS
HAMILTONIAN FUNCTIONS
HELIUM
LINEAR DIFFERENTIAL EQUATIONS
PE61102A
PERTURBATION THEORY
PERTURBATIONS
Physical Chemistry
POTENTIAL ENERGY
QUANTUM CHEMISTRY
RADIATION
RADIATIVE LIFETIME
SPECTRA
TIME
TRANSITIONS
WAVE FUNCTIONS
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Summary: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, R(He-He), over the bound region of a potential energy curve.