受强制性开放获取政策约束的文章 - Sebastian Schwalbe了解详情
无法在其他位置公开访问的文章：4 篇
Thermodynamic characterization of lithium monosilicide (LiSi) by means of calorimetry and DFT-calculations
F Taubert, S Schwalbe, J Seidel, R Hüttl, T Gruber, R Janot, M Bobnar, ...
International Journal of Materials Research 108 (11), 942-958, 2017
强制性开放获取政策： German Research Foundation
Theoretical and experimental investigations of 129 Xe NMR chemical shift isotherms in metal–organic frameworks
K Trepte, S Schwalbe, J Schaber, S Krause, I Senkovska, S Kaskel, ...
Physical Chemistry Chemical Physics 20 (38), 25039-25043, 2018
强制性开放获取政策： German Research Foundation
Symmetry Breaking within Fermi–Löwdin Orbital Self-Interaction Corrected Density Functional Theory
T Hahn, S Schwalbe, J Kortus, MR Pederson
Journal of Chemical Theory and Computation 13 (12), 5823-5828, 2017
强制性开放获取政策： US Department of Defense, German Research Foundation
Ni II formate complexes with bi-and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties
K Rühlig, A Abylaikhan, A Aliabadi, V Kataev, S Liebing, S Schwalbe, ...
Dalton Transactions 46 (12), 3963-3979, 2017
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：23 篇
Stretched or noded orbital densities and self-interaction correction in density functional theory
C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ...
The Journal of Chemical Physics 150 (17), 2019
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation
S Schwalbe, T Hahn, S Liebing, K Trepte, J Kortus
Journal of computational chemistry 39 (29), 2463-2471, 2018
强制性开放获取政策： German Research Foundation
PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction
S Schwalbe, L Fiedler, J Kraus, J Kortus, K Trepte, S Lehtola
The Journal of Chemical Physics 153 (8), 2020
强制性开放获取政策： US Department of Energy, German Research Foundation, Academy of Finland
Interpretation and Automatic Generation of Fermi‐Orbital Descriptors
S Schwalbe, K Trepte, L Fiedler, AI Johnson, J Kraus, T Hahn, JE Peralta, ...
Journal of Computational Chemistry 40 (32), 2843-2857, 2019
强制性开放获取政策： US Department of Energy, German Research Foundation
Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction
K Trepte, S Schwalbe, T Hahn, J Kortus, DY Kao, Y Yamamoto, T Baruah, ...
Journal of Computational Chemistry 40 (6), 820-825, 2019
强制性开放获取政策： US Department of Energy, US National Aeronautics and Space Administration
Ab initio electronic structure and optical conductivity of bismuth tellurohalides
S Schwalbe, R Wirnata, R Starke, GAH Schober, J Kortus
Physical Review B 94 (20), 205130, 2016
强制性开放获取政策： German Research Foundation
Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties
T Dornheim, S Schwalbe, MP Böhme, ZA Moldabekov, J Vorberger, ...
The Journal of Chemical Physics 160 (16), 2024
强制性开放获取政策： European Commission
Bound-state breaking and the importance of thermal exchange–correlation effects in warm dense hydrogen
Z Moldabekov, S Schwalbe, MP Böhme, J Vorberger, X Shao, ...
Journal of Chemical Theory and Computation 20 (1), 68-78, 2023
强制性开放获取政策： US National Science Foundation, European Commission, Federal Ministry of …
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking
K Trepte, S Schwalbe, S Liebing, WT Schulze, J Kortus, H Myneni, ...
The Journal of Chemical Physics 155 (22), 2021
强制性开放获取政策： German Research Foundation
Ab Initio Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales
T Dornheim, S Schwalbe, ZA Moldabekov, J Vorberger, P Tolias
The Journal of Physical Chemistry Letters 15 (5), 1305-1313, 2024
强制性开放获取政策： European Commission, Federal Ministry of Education and Research, Germany
Ab initio density response and local field factor of warm dense hydrogen
T Dornheim, S Schwalbe, P Tolias, MP Böhme, ZA Moldabekov, ...
Matter and Radiation at Extremes 9 (5), 2024
强制性开放获取政策： European Commission
How good are recent density functionals for ground and excited states of one-electron systems?
S Schwalbe, K Trepte, S Lehtola
The Journal of Chemical Physics 157 (17), 2022
强制性开放获取政策： German Research Foundation
Ultrahigh resolution x-ray Thomson scattering measurements at the European X-ray Free Electron Laser
T Gawne, ZA Moldabekov, OS Humphries, K Appel, C Baehtz, V Bouffetier, ...
Physical Review B 109 (24), L241112, 2024
强制性开放获取政策： European Commission
Mechanical, elastic and thermodynamic properties of crystalline lithium silicides
S Schwalbe, T Gruber, K Trepte, F Taubert, F Mertens, J Kortus
Computational Materials Science 134, 48-57, 2017
强制性开放获取政策： German Research Foundation
Toward first principles-based simulations of dense hydrogen
M Bonitz, J Vorberger, M Bethkenhagen, MP Böhme, DM Ceperley, ...
Physics of Plasmas 31 (11), 2024
强制性开放获取政策： European Commission
Excitation signatures of isochorically heated electrons in solids at finite wave number explored from first principles
ZA Moldabekov, TD Gawne, S Schwalbe, TR Preston, J Vorberger, ...
Physical Review Research 6 (2), 023219, 2024
强制性开放获取政策： European Commission
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