Implementation of nonseparable exact exchange effects in the first-order nondegenerate adiabatic theory

Journal Article · Fri Jul 01 04:00:00 EDT 1994 · Physical Review A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.50.412· OSTI ID:7041843

Abdolsalami, M ^[1]; Abdolsalami, F ^[2]; Gonzalez, H R ^[1]

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1. Engineering Department, St. Mary's University, San Antonio, Texas 78228 (United States)
2. Department of Engineering Science, Trinity University, San Antonio, Texas 78212 (United States)

We have implemented nonlocal exchange effects rigorously in the first-order nondegenerate adiabatic (FONDA) theory. This implementation requires solving integrodifferential equations that involve double integrals. Separable and model exchange approximations that simplify the inclusion of exchange in the scattering calculations have been previously implemented in the FONDA theory. The discrepancy between the exact exchange FONDA cross sections and the separable and model exchange results suggests that one needs to include exchange rigorously to obtain accurate results over a wide range of energies. Specifically, a difference of up to 30% is observed between the exact and separable exchange FONDA cross sections at near-threshold energies. At higher energies the FONDA results from the rigorous and model exchange implementations disagree by as much as 10%.

• OSTI ID: 7041843
• Journal Information: Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 50:1; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

664300* -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
CALCULATION METHODS
COLLISIONS
CROSS SECTIONS
DIFFERENTIAL EQUATIONS
ELECTRON COLLISIONS
ELECTRON EXCHANGE
ELECTRON TRANSFER
ELECTRON-MOLECULE COLLISIONS
ENERGY
EQUATIONS
INELASTIC SCATTERING
INTEGRAL EQUATIONS
MOLECULE COLLISIONS
SCATTERING
THRESHOLD ENERGY