A method for producing pseudopotentials from first principles for use with orbitalfree density functional is presented. In several metallic systems, the orbital-free approach reproduces the results of Kohn-Sham calculations with non-local pseudopotentials with considerably less computational effort.
|Original language||English (US)|
|Number of pages||6|
|State||Published - Jan 1 1998|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)