Dorothea Golze
Dorothea Golze
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Zitiert von
Zitiert von
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 194103, 2020
Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids
EI Izgorodina, D Golze, R Maganti, V Armel, M Taige, TJS Schubert, ...
Physical Chemistry Chemical Physics 16 (16), 7209-7221, 2014
The GW compendium: A practical guide to theoretical photoemission spectroscopy
D Golze, M Dvorak, P Rinke
Frontiers in chemistry 7, 377, 2019
Simulation of adsorption processes at metallic interfaces: an image charge augmented QM/MM approach
D Golze, M Iannuzzi, MT Nguyen, D Passerone, J Hutter
Journal of chemical theory and computation 9 (11), 5086-5097, 2013
Toward GW Calculations on Thousands of Atoms
J Wilhelm, D Golze, L Talirz, J Hutter, CA Pignedoli
The journal of physical chemistry letters 9 (2), 306-312, 2018
Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis
D Golze, J Wilhelm, MJ van Setten, P Rinke
Journal of chemical theory and computation 14 (9), 4856-4869, 2018
Wetting of water on hexagonal boron nitride@ Rh (111): a QM/MM model based on atomic charges derived for nano-structured substrates
D Golze, J Hutter, M Iannuzzi
Physical Chemistry Chemical Physics 17 (22), 14307-14316, 2015
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules
A Stuke, C Kunkel, D Golze, M Todorović, JT Margraf, K Reuter, P Rinke, ...
Scientific data 7 (1), 1-11, 2020
Silver-stabilized guanine duplex: Structural and optical properties
X Chen, E Makkonen, D Golze, O Lopez-Acevedo
The journal of physical chemistry letters 9 (16), 4789-4794, 2018
Accurate Absolute and Relative Core-Level Binding Energies from GW
D Golze, L Keller, P Rinke
The journal of physical chemistry letters 11 (5), 1840-1847, 2020
Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals
D Golze, N Benedikter, M Iannuzzi, J Wilhelm, J Hutter
The Journal of chemical physics 146 (3), 034105, 2017
Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations
D Golze, M Iannuzzi, J Hutter
Journal of chemical theory and computation 13 (5), 2202-2214, 2017
Implementation of two‐qubit and three‐qubit quantum computers using liquid‐state nuclear magnetic resonance
D Golze, M Icker, S Berger
Concepts in Magnetic Resonance Part A 40 (1), 25-37, 2012
Quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with
M Dvorak, D Golze, P Rinke
Physical Review Materials 3 (7), 070801, 2019
Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers
LK Scarbath-Evers, M Todorović, D Golze, R Hammer, W Widdra, ...
Physical Review Materials 3 (1), 011601, 2019
From flat to tilted: Gradual interfaces in organic thin film growth
LK Scarbath-Evers, R Hammer, D Golze, M Brehm, D Sebastiani, ...
Nanoscale 12 (6), 3834-3845, 2020
Relativistic correction scheme for core-level binding energies from GW
L Keller, V Blum, P Rinke, D Golze
The Journal of Chemical Physics 153 (11), 114110, 2020
Time-resolved XAS of Fe/MgO heterostructure
TS Tan, J Kas, F Vila, J Rehr, M Gruner, A Eschenlohr, U Bovensiepen, ...
Bulletin of the American Physical Society, 2021
Low-scaling GW calculations for molecules with benchmark accuracy
J Wilhelm, D Golze
Bulletin of the American Physical Society, 2021
Low-scaling with benchmark accuracy and application to phosphorene nanosheets
J Wilhelm, P Seewald, D Golze
arXiv preprint arXiv:2012.06321, 2020
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