most citedEfficient Treatment of Relativistic Effects with Periodic Density Functional Methods: Energies, Gradients, and Stress Tensors

4 citations · 4 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2023★ 4 cited

Efficient Treatment of Relativistic Effects with Periodic Density Functional Methods: Energies, Gradients, and Stress Tensors

Yannick J. Franzke, Werner M. Schosser, Fabian Pauly

The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is pr…