Dorothea Golze

activity

20172025

most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.5k across the 23 of their papers we have counts for

collaborators

Showing 2023Show all

2 papers · 1 filter

physics.chem-ph2023★ 5 cited

Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework

Francisco A. Delesma, Moritz Leucke, Dorothea Golze +1

Four-center two-electron Coulomb integrals routinely appear in electronic structure algorithms. The resolution-of-the-identity (RI) is a popular technique to reduce the computation…

physics.comp-ph2023★ 35 cited

Accelerating core-level $G W$ calculations by combining the contour deformation approach with the analytic continuation of $W$

Ramón L. Panadés-Barrueta, Dorothea Golze

In recent years, the $G W$ method has emerged as a reliable tool for computing core-level binding energies. The contour deformation (CD) technique has been established as an efficie…

Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework

Accelerating core-level GW calculations by combining the contour deformation approach with the analytic continuation of W

Accelerating core-level $G W$ calculations by combining the contour deformation approach with the analytic continuation of $W$