The multielectron, hidden crossings method for inelastic processes in slow ion/atom{endash}atom collisions
- Physics Department, University of Connecticut, Storrs, Connecticut 06269 (United States)
- Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6372 (United States)
A new method is described for studying collision dynamics in slow ion/atom{endash}atom collisions. It is a generalization of the single-electron, two-center hidden crossings method to multielectron systems. This approach derives from the analytic properties of energy surfaces and wave functions of the adiabatic electronic Hamiltonian when the internuclear distance is extended into the complex plane. The collision dynamics in the adiabatic limit is determined by the topology of the unique multivalued electronic energy surface, particularly by its singular points, the square-root branch points. The surfaces described here have been studied using a complex version of the unrestricted Hartree{endash}Fock and configuration interaction method with all single electron excitations, based on a bivariational principle. Although various inelastic processes can be calculated, the method is especially useful for the description of ionization. We have illustrated this through the calculation of cross sections for ionization of helium by proton and antiproton impact, as well as for the collision of two hydrogen atoms. {copyright} {ital 1998 American Institute of Physics.}
- OSTI ID:
- 566996
- Journal Information:
- Journal of Chemical Physics, Vol. 108, Issue 4; Other Information: PBD: Jan 1998
- Country of Publication:
- United States
- Language:
- English
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