متابعة
Ralph Gebauer
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
QUANTUM ESPRESSO: a modular and open-source software project for quantumsimulations of materials‏
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...‏
Journal of physics: Condensed matter 21 (39), 395502, 2009‏
311742009
Advanced capabilities for materials modelling with Quantum ESPRESSO‏
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...‏
Journal of physics: Condensed matter 29 (46), 465901, 2017‏
82132017
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence‏
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...‏
Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U …, 2009‏
2562009
Turbo charging time-dependent density-functional theory with Lanczos chains‏
D Rocca, R Gebauer, Y Saad, S Baroni‏
The Journal of Chemical Physics 128 (15), 2008‏
2532008
Proton transfer and structure-specific fluorescence in hydrogen bond-rich protein structures‏
D Pinotsi, L Grisanti, P Mahou, R Gebauer, CF Kaminski, A Hassanali, ...‏
Journal of the American Chemical Society 138 (9), 3046-3057, 2016‏
2322016
Efficient Approach to Time-Dependent Density-Functional Perturbation Theory<? format?> for Optical Spectroscopy‏
B Walker, AM Saitta, R Gebauer, S Baroni‏
Physical review letters 96 (11), 113001, 2006‏
1922006
Density functional theory of the electrical conductivity of molecular devices‏
K Burke, R Car, R Gebauer‏
Physical review letters 94 (14), 146803, 2005‏
1802005
turboTDDFT–A code for the simulation of molecular spectra using the Liouville–Lanczos approach to time-dependent density-functional perturbation theory‏
OB Malcıoğlu, R Gebauer, D Rocca, S Baroni‏
Computer Physics Communications 182 (8), 1744-1754, 2011‏
1752011
Water adsorption and dissociation on α-Fe2O3 (0001): PBE+ U calculations‏
MT Nguyen, N Seriani, R Gebauer‏
The Journal of chemical physics 138 (19), 2013‏
1452013
Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption‏
F De Angelis, S Fantacci, R Gebauer‏
The Journal of Physical Chemistry Letters 2 (7), 813-817, 2011‏
1212011
Time-dependent density functional theory study of squaraine dye-sensitized solar cells‏
D Rocca, R Gebauer, F De Angelis, MK Nazeeruddin, S Baroni‏
Chemical Physics Letters 475 (1-3), 49-53, 2009‏
1012009
Photo-oxidation of water on defective hematite (0001)‏
MT Nguyen, S Piccinin, N Seriani, R Gebauer‏
ACS Catalysis 5 (2), 715-721, 2015‏
1002015
Gerstmann u‏
P Giannozzi, S Baroni, N Bonini, M Calandra, D Ceresoli, GL Chiarotti, ...‏
Gougousis C., Kokalj A., Lazzeri M., Martin-Samos L., Marzari N., Mauri F …, 2009‏
982009
Current in open quantum systems‏
R Gebauer, R Car‏
Physical review letters 93 (16), 160404, 2004‏
962004
Photo-driven oxidation of water on α-Fe2O3 surfaces: An ab initio study‏
MT Nguyen, N Seriani, S Piccinin, R Gebauer‏
The Journal of chemical physics 140 (6), 2014‏
932014
Density functional theory of solvation in a polar solvent: Extracting the functional from homogeneous solvent simulations‏
R Ramirez, R Gebauer, M Mareschal, D Borgis‏
Physical Review E 66 (3), 031206, 2002‏
932002
Magnons in real materials from density-functional theory‏
R Gebauer, S Baroni‏
Physical Review B 61 (10), R6459, 2000‏
882000
Ultrasoft pseudopotentials in time-dependent density-functional theory‏
B Walker, R Gebauer‏
The Journal of chemical physics 127 (16), 2007‏
862007
turboTDDFT 2.0—Hybrid functionals and new algorithms within time-dependent density-functional perturbation theory‏
X Ge, SJ Binnie, D Rocca, R Gebauer, S Baroni‏
Computer Physics Communications 185 (7), 2080-2089, 2014‏
782014
turboEELS—A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville–Lanczos approach to time-dependent density …‏
I Timrov, N Vast, R Gebauer, S Baroni‏
Computer Physics Communications 196, 460-469, 2015‏
712015
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مقالات 1–20