Time-dependent density functional calculation of e-H scattering.
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.
Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854-8087, USA.
Meta
M
van Faassen
Adam
A
Wasserman
Eberhard
E
Engel
Fan
F
Zhang
Kieron
K
Burke