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arXiv · 0704.2790

Time-dependent Density Functional calculation of e-H scattering

Meta van Faassen·Adam Wasserman·Eberhard Engel·Fan Zhang·Kieron Burke
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Abstract

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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Meta van Faassen, Adam Wasserman, Eberhard Engel, Fan Zhang, Kieron Burke. 2007-07-11. Time-dependent Density Functional calculation of e-H scattering. https://doi.org/10.1103/physrevlett.99.043005

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