Matthias Scheffler
Matthias Scheffler
Director at Fritz-Haber-Institut der Max-Planck-Gesellschaft
כתובת אימייל מאומתת בדומיין fhi-berlin.mpg.de - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data
A Tkatchenko, M Scheffler
Physical review letters 102 (7), 073005, 2009
42762009
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al (111)
J Neugebauer, M Scheffler
Physical Review B 46 (24), 16067, 1992
22561992
Composition, structure, and stability of RuO 2 (110) as a function of oxygen pressure
K Reuter, M Scheffler
Physical Review B 65 (3), 035406, 2001
18802001
Ab initio molecular simulations with numeric atom-centered orbitals
V Blum, R Gehrke, F Hanke, P Havu, V Havu, X Ren, K Reuter, ...
Computer Physics Communications 180 (11), 2175-2196, 2009
18422009
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
M Fuchs, M Scheffler
Computer Physics Communications 119 (1), 67-98, 1999
16331999
Accurate and efficient method for many-body van der Waals interactions
A Tkatchenko, RA DiStasio Jr, R Car, M Scheffler
Physical review letters 108 (23), 236402, 2012
10732012
Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics
M Bockstedte, A Kley, J Neugebauer, M Scheffler
Computer physics communications 107 (1-3), 187-222, 1997
8971997
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
781*2016
The CO/Pt (111) Puzzle
PJ Feibelman, B Hammer, JK Nørskov, F Wagner, M Scheffler, R Stumpf, ...
The Journal of Physical Chemistry B 105 (18), 4018-4025, 2001
7502001
Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals
M Methfessel, D Hennig, M Scheffler
Physical Review B 46 (8), 4816, 1992
6641992
Analysis of separable potentials
X Gonze, R Stumpf, M Scheffler
Physical Review B 44 (16), 8503, 1991
6041991
Hallmark of perfect graphene
EJ Duplock, M Scheffler, PJD Lindan
Physical review letters 92 (22), 225502, 2004
5882004
The Hematite ( - ) (0001) Surface: Evidence for Domains of Distinct Chemistry
XG Wang, W Weiss, SK Shaikhutdinov, M Ritter, M Petersen, F Wagner, ...
Physical Review Letters 81 (5), 1038, 1998
5491998
Effect of the Environment on (0001) Surface Structures
XG Wang, A Chaka, M Scheffler
Physical review letters 84 (16), 3650, 2000
5442000
Density-functional theory with screened van der Waals interactions for the modeling of hybrid inorganic-organic systems
VG Ruiz, W Liu, E Zojer, M Scheffler, A Tkatchenko
Physical review letters 108 (14), 146103, 2012
5382012
CO oxidation as a prototypical reaction for heterogeneous processes
HJ Freund, G Meijer, M Scheffler, R Schlögl, M Wolf
Angewandte Chemie International Edition 50 (43), 10064-10094, 2011
5332011
Big data of materials science: critical role of the descriptor
LM Ghiringhelli, J Vybiral, SV Levchenko, C Draxl, M Scheffler
Physical review letters 114 (10), 105503, 2015
5322015
Adatom diffusion at GaN (0001) and (0001) surfaces
T Zywietz, J Neugebauer, M Scheffler
Applied physics letters 73 (4), 487-489, 1998
5111998
Phonon-versus electron-mediated desorption and oxidation of CO on Ru (0001)
M Bonn, S Funk, C Hess, DN Denzler, C Stampfl, M Scheffler, M Wolf, ...
Science 285 (5430), 1042-1045, 1999
4871999
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ...
New Journal of Physics 14 (5), 053020, 2012
4772012
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מאמרים 1–20