activity
20192025
most citedAll-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions

38 citations · 87 across the 8 of their papers we have counts for

collaborators
Showing 2019Show all

1 paper · 1 filter

physics.chem-ph2019★ 38 cited

All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions

Marius Kadek, Michal Repisky, Kenneth Ruud

We present the first full-potential method that solves the fully relativistic 4-component Dirac-Kohn-Sham equation for materials in the solid state within the framework of atom-cen…