Generalization of the Hartree-Fock approach to collision processes

Journal Article · Sun Jun 01 04:00:00 EDT 1997 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.55.4238· OSTI ID:503684

Hahn, Y ^[1]

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1. Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States)

The conventional Hartree and Hartree-Fock approaches for bound states are generalized to treat atomic collision processes. All the single-particle orbitals, for both bound and scattering states, are determined simultaneously by requiring full self-consistency. This generalization is achieved by introducing two {ital Ans{umlt a}tze}: (a) the weak asymptotic boundary condition, which maintains the correct scattering energy and target orbitals with correct number of nodes, and (b) square integrable amputated scattering functions to generate self-consistent field (SCF) potentials for the target orbitals. The exact initial target and final-state asymptotic wave functions are not required and thus need not be specified {ital a priori}, as they are determined simultaneously by the SCF iterations. To check the asymptotic behavior of the solution, the theory is applied to elastic electron-hydrogen scattering at low energies. The solution is found to be stable and the weak asymptotic condition is sufficient to produce the correct scattering amplitudes. The SCF potential for the target orbital shows the strong penetration by the projectile electron during the collision, but the exchange term tends to restore the original form. Potential applicabilities of this extension are discussed, including the treatment of ionization and shake-off processes. {copyright} {ital 1997} {ital The American Physical Society}

• OSTI ID: 503684
• Journal Information: Physical Review A, Journal Name: Physical Review A Journal Issue: 6 Vol. 55; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ELECTRON-ATOM COLLISIONS
HARTREE-FOCK METHOD
HYDROGEN
ORBITS
WAVE FUNCTIONS