Asymptotic behavior of atomic and molecular wave functions.
The asymptotic form of bound-state wave functions is derived by analytic continuation of asymptotic scattering-state wave functions. The result is also regorously derived by using an approach that is independent of scattering theory. One aspect of the result is that the N electron wave function becomes the lowest accessible exact wave function for the remaining N - 1 electrons when one electron is far away from all the nuclei. This shows that the recently developed extended Koopmans' procedures are in principle exact for the first ionization energy.
Department of Chemistry, University of Washington, Seattle, Washington 98195.
J
J
Katriel
E R
ER
Davidson