Improved Calculations of X-Ray Coherent and Incoherent Scattering Cross-Sections.
Semiannual progress rept. 1 Mar-1 Sep 72,
POLYTECHNIC INST OF BROOKLYN N Y DEPT OF PHYSICS
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Progress is described in four areas of research. For large atoms a code has been developed to calculate profiles from numerical Hartree-Fock wave functions. Relativistic Compton profiles have been calculated for the first time. Non-relativistic and relativistic profile calculations for gadolinium are presented. Exact hydrogenic K-shell and L-shell calculations were performed. Impulse incoherent scattering factors were shown to be greatly improved over conventional Waller-Hartree calculations for strong binding or the case of low momentum transfers. A direct variational principle to calculate coherent factors has been employed in the two-electron atom ground state isoelectronic sequence and very accurate results have been obtained using a simple trial wave function.
- Atomic and Molecular Physics and Spectroscopy