The Effect of Several Configuration Interaction Target States on the Elastic Scattering of Low-Energy Electrons by Complex Atoms.
Physical sciences research papers,
AIR FORCE CAMBRIDGE RESEARCH LABS HANSCOM AFB MASS
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The total wave function target plus incident electron is represented by a close coupling expansion. For complex atoms such as atomaic helium and oxygen, the effects of configuration interaction target states are discussed and analyzed, in part. For atomic helium, the doublet S partial-wave elastic cross section obtained using a He configuration interaction ground state is virtually identical with the corresponding cross section obtained using a Roothaan-Hartree-Fock ground state. In all cases studied, the elastic phase shift is shown to increase with the addition of atomic states and explicit correlation states into the expansion for the total wave function. For atomic oxygen, the quartet P partial-wave elastic phase shift can increase to such an extent as to introduce a resonance behavior into the low-energy part of the elastic cross section. Finally, a second procedure is discussed for including correlation states when CI target states are used in the close-coupling expansion.
- Physical Chemistry