94 citations · 225 across the 7 of their papers we have counts for
4 papers · 1 filter
Time-dependent Density Functional calculation of e-H scattering
Meta van Faassen, Adam Wasserman, Eberhard Engel +2
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…
Spin-orbit interactions and spin-currents from an exact-exchange Kohn-Sham method
Stefan Rohra, Eberhard Engel, Andreas Goerling
An exact-exchange spin-current Kohn-Sham method to treat non-collinear spin, magnetic effects, currents, spin-currents, and spin-orbit interactions self-consistently on equal footi…
Exact-Exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems
Stefan Rohra, Eberhard Engel, Andreas Goerling
The Exact-Exchange (EXX) Kohn-Sham formalism, which treats exchange interactions exactly within density-functional theory, is applied to one-dimensional periodic systems. The under…
Total energy density as an interpretative tool
Morrel H Cohen, Derek Frydel, Kieron Burke +1
We present an unambiguous formulation for the total energy density within density-functional theory. We propose that it be used as a tool for the interpretation of computed energy…