activity
20112023
most citedElectronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated Ab Initio Methods

110 citations · 148 across the 2 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

1 paper · 1 filter

cond-mat.mtrl-sci2023

Band structures and invariants of two-dimensional transition metal dichalcogenide monolayers from fully-relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Marius Kadek, Baokai Wang, Marc Joosten +5

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand…