Time-dependent Density Functional calculation of e-H scattering

Details Time-dependent Density Functional calculation of e-H scattering Time-dependent Density Functional calculation of e-H scattering

2007-04-20

arxiv.org/abs/0704.2790v2

Physics

Condensed Matter

Materials Science

5 pages, 4 figures, 1 table

Scientific paper

10.1103/PhysRevLett.99.043005

Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange yields an excellent approximation to the ground-state Kohn-Sham potential, while the adiabatic local density approximation yields good singlet and triplet phase shifts.

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