Can I read Relativistic Kohn-Sham Theory for Solids on EtoBox?
Relativistic Kohn-Sham Theory for Solids by fumi is a document available to read on EtoBox.
What is Relativistic Kohn-Sham Theory for Solids about?
This document presents a novel fully relativistic all-electron Kohn-Sham method for solid-state systems using Gaussian-type orbitals (GTOs), addressing the computational challenges of modeling heavy elements. The method effectively incorporates scalar relativistic effects and spin-orbit coupling variationally, enabling accurate studies of materials with significant relativistic influences. The authors demonstrate the method
- Author
- fumi
- Language
- EN