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

110 citations · 175 across the 4 of their papers we have counts for

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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…