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19922026
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

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13 papers · 1 filter

nlin.PS2000★ 43 cited

Self-organized stable pacemakers near the onset of birhythmicity

Michael Stich, Mads Ipsen, Alexander S. Mikhailov

General amplitude equations for reaction-diffusion systems near to the soft onset of birhythmicity described by a supercritical pitchfork-Hopf bifurcation are derived. Using these…

cond-mat.mtrl-sci2000★ 20 cited

Time-dependent screening of a positive charge distribution in metals: Excitons on an ultra-short time scale

Wolf-Dieter Schöne, Walter Ekardt

Experiments determining the lifetime of excited electrons in crystalline copper reveal states which cannot be interpreted as Bloch states [S. Ogawa {\it et al.}, Phys. Rev. B {\bf…

cond-mat.mtrl-sci2000★ 7 cited

Theory of Adsorption on Metal Substrates

M. Scheffler, C. Stampfl

Contents: 5.1 Introduction 5.2 Concepts and definitions 5.3 The tight-binding picture of bonding 5.4 Adsorption of isolated adatoms 5.5 Alkali-metal adsorption: the traditional pic…

cond-mat.mtrl-sci2000★ 15 cited

First principles study of the adsorption of C60 on Si(111)

Daniel Sanchez-Portal, Emilio Artacho, J. I. Pascual +3

The adsorption of C60 on Si(111) has been studied by means of first-principles density functional calculations. A 2x2 adatom surface reconstruction was used to simulate the terrace…

cond-mat.mtrl-sci2000

Substrate-mediated interaction on Ag(111) surfaces from first principles

Kristen A. Fichthorn, Matthias Scheffler

When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-med…

cond-mat.mtrl-sci2000★ 4 cited

Point defects on III-V semiconductor surfaces

G. Schwarz, J. Neugebauer, M. Scheffler

The basic properties of point defects (atomic geometry, the position of charge-transfer levels, and formation energies) on the (110) surface of GaAs, GaP, and InP have been calcula…

cond-mat.mtrl-sci2000★ 33 cited

Electronic structure of the strongly hybridized ferromagnet CeFe2

T. Konishi, K. Morikawa, K. Kobayashi +8

We report on results from high-energy spectroscopic measurements on CeFe2, a system of particular interest due to its anomalous ferromagnetism with an unusually low Curie temperatu…

cond-mat.mtrl-sci2000★ 14 cited

Decay properties of the one-particle Green function in real space and imaginary time

Arno Schindlmayr

The decay properties of the one-particle Green function in real space and imaginary time are systematically studied for solids. I present an analytic solution for the homogeneous e…

cond-mat.stat-mech2000★ 48 cited

Breakdown of universality in transitions to spatio-temporal chaos

Tomas Bohr, Martin van Hecke, Rene' Mikkelsen +1

In this Letter we show that the transition from laminar to active behavior in extended chaotic systems can vary from a continuous transition in the universality class of Directed P…

cond-mat.mtrl-sci2000★ 43 cited

Symmetric Versus Nonsymmetric Structure of the Phosphorus Vacancy on InP(110)

Ph. Ebert, K. Urban, L. Aballe +5

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and…

cond-mat.mtrl-sci2000★ 241 cited

Island nucleation in thin-film epitaxy: A first-principles investigation

Kristen A. Fichthorn, Matthias Scheffler

We describe a theoretical study of the role of adsorbate interactions in island nucleation and growth, using Ag/Pt(111) heteroepitaxy as an example. From density-functional theory,…

physics.bio-ph2000★ 3 cited

On the genealogy of a population of biparental individuals

B. Derrida, S. C. Manrubia, D. H. Zanette

If one goes backward in time, the number of ancestors of an individual doubles at each generation. This exponential growth very quickly exceeds the population size, when this size…

cond-mat.mtrl-sci2000★ 496 cited

The Effect of the Environment on alpha-Al_2O_3 (0001) Surface Structures

Xiao-Gang Wang, Anne Chaka, Matthias Scheffler

We report that calculating the Gibbs free energy of the alpha-Al_2O_3 (0001) surfaces in equilibrium with a realistic environment containing both oxygen and hydrogen species is ess…