Matthias Scheffler
Matthias Scheffler
Director at Fritz-Haber-Institut der Max-Planck-Gesellschaft
Verified email at fhi-berlin.mpg.de - Homepage
TitleCited byYear
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
32562009
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
19341992
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
16142001
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
14911999
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
13612009
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
8581997
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
8272012
The CO/Pt (111) puzzle
PJ Feibelman, B Hammer, JK NÝrskov, F Wagner, M Scheffler, R Stumpf, ...
The Journal of Physical Chemistry B 105 (18), 4018-4025, 2001
6842001
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
6181992
Analysis of separable potentials
X Gonze, R Stumpf, M Scheffler
Physical Review B 44 (16), 8503, 1991
5781991
Hallmark of perfect graphene
EJ Duplock, M Scheffler, PJD Lindan
Physical review letters 92 (22), 225502, 2004
5382004
Effect of the Environment on α− Al 2 O 3 (0001) Surface Structures
XG Wang, A Chaka, M Scheffler
Physical Review Letters 84 (16), 3650, 2000
5062000
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
4961998
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T BjŲrkman, P Blaha, S BlŁgel, V Blum, ...
Science 351 (6280), aad3000, 2016
475*2016
Adatom diffusion at GaN (0001) and (0001) surfaces
T Zywietz, J Neugebauer, M Scheffler
Applied physics letters 73 (4), 487-489, 1998
4621998
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
4572012
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
4461999
Six-dimensional quantum dynamics of adsorption and desorption of H 2 at Pd (100): steering and steric effects
A GroŖ, S Wilke, M Scheffler
Physical review letters 75 (14), 2718, 1995
4461995
GaAs equilibrium crystal shape from first principles
N Moll, A Kley, E Pehlke, M Scheffler
Physical Review B 54 (12), 8844, 1996
4401996
Multidimensional potential energy surface for H 2 dissociation over Cu (111)
B Hammer, M Scheffler, KW Jacobsen, JK NÝrskov
Physical review letters 73 (10), 1400, 1994
4051994
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Articles 1–20