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

38 citations · 38 across the 1 of their papers we have counts for

collaborators

1 paper

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…