Artículos con órdenes de acceso público - Stephan KümmelMás información
No disponibles en ningún lugar: 26
Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats
A Karolewski, L Kronik, S Kümmel
The Journal of chemical physics 138 (20), 2013
Órdenes: German Research Foundation
Dielectric screening meets optimally tuned density functionals
L Kronik, S Kümmel
Advanced Materials 30 (41), 1706560, 2018
Órdenes: US National Science Foundation, German Research Foundation, Federal Ministry …
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional
L Kronik, S Kümmel
Physical Chemistry Chemical Physics 22 (29), 16467-16481, 2020
Órdenes: German Research Foundation
Using complex degrees of freedom in the Kohn-Sham self-interaction correction
D Hofmann, S Klüpfel, P Klüpfel, S Kümmel
Physical Review A—Atomic, Molecular, and Optical Physics 85 (6), 062514, 2012
Órdenes: German Research Foundation
Perpendicular emission, dichroism, and energy dependence in angle-resolved photoemission: the importance of the final state
M Dauth, M Graus, I Schelter, M Wießner, A Schöll, F Reinert, S Kümmel
Physical Review Letters 117 (18), 183001, 2016
Órdenes: German Research Foundation
Self-interaction correction in a real-time Kohn-Sham scheme: Access to difficult excitations in time-dependent density functional theory
D Hofmann, S Kümmel
The Journal of chemical physics 137 (6), 2012
Órdenes: German Research Foundation
Integer particle preference during charge transfer in Kohn-Sham theory
D Hofmann, S Kümmel
Physical Review B—Condensed Matter and Materials Physics 86 (20), 201109, 2012
Órdenes: German Research Foundation
Photoelectron spectra of sodium clusters: The problem of interpreting Kohn-Sham eigenvalues
M Mundt, S Kümmel, B Huber, M Moseler
Physical Review B—Condensed Matter and Materials Physics 73 (20), 205407, 2006
Órdenes: German Research Foundation
Accurate Evaluation of Real-Time Density Functional Theory Providing Access to Challenging Electron Dynamics
I Schelter, S Kümmel
J. Chem. Theory Comput. 14 (4), 1910–1927, 2017
Órdenes: German Research Foundation
The electronic structure of gold− platinum nanoparticles: collecting clues for why they are special
L Leppert, S Kümmel
The Journal of Physical Chemistry C 115 (14), 6694-6702, 2011
Órdenes: German Research Foundation
Photoabsorption spectra from adiabatically exact time-dependent density-functional theory in real time
M Thiele, S Kümmel
Physical Chemistry Chemical Physics 11 (22), 4631-4639, 2009
Órdenes: German Research Foundation
Optimized effective potential in real time: Problems and prospects in time-dependent density-functional theory
M Mundt, S Kümmel
Physical Review A—Atomic, Molecular, and Optical Physics 74 (2), 022511, 2006
Órdenes: German Research Foundation
Frequency dependence of the exact exchange-correlation kernel of time-dependent density-functional theory
M Thiele, S Kümmel
Physical Review Letters 112 (8), 083001, 2014
Órdenes: German Research Foundation
Using time-dependent density functional theory in real time for calculating electronic transport
P Schaffhauser, S Kümmel
Physical Review B 93 (3), 035115, 2016
Órdenes: German Research Foundation
Hydrodynamic perspective on memory in time-dependent density-functional theory
M Thiele, S Kümmel
Physical Review A—Atomic, Molecular, and Optical Physics 79 (5), 052503, 2009
Órdenes: German Research Foundation
Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights
M Brütting, H Bahmann, S Kümmel
The Journal of Chemical Physics 156 (10), 2022
Órdenes: German Research Foundation
Hyperpolarizabilities of molecular chains: A real-space approach
S Kümmel, L Kronik
Computational materials science 35 (3), 321-326, 2006
Órdenes: German Research Foundation
Predicting photoemission intensities and angular distributions with real-time density-functional theory
M Dauth, S Kümmel
Physical Review A 93 (2), 022502, 2016
Órdenes: German Research Foundation
Hydrogen binding energies and electronic structure of Ni–Pd particles: a clue to their special catalytic properties
L Leppert, R Kempe, S Kümmel
Physical Chemistry Chemical Physics 17 (39), 26140-26148, 2015
Órdenes: German Research Foundation
Exploring local range separation: The role of spin scaling and one-electron self-interaction
T Aschebrock, S Kümmel
The Journal of Chemical Physics 151 (15), 2019
Órdenes: Federal Ministry of Education and Research, Germany
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