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Schwalbe, Sebastian
131  Ergebnisse:
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1

Excitation signatures of isochorically heated electrons in ..:

Moldabekov, Zhandos A. ; Gawne, Thomas D. ; Schwalbe, Sebastian...
Physical Review Research.  6 (2024)  2 - p. , 2024
Link: https://doi.org/10.1103/..
 
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2

Ab Initio Path Integral Monte Carlo Simulations of the Unif..:

Dornheim, Tobias ; Schwalbe, Sebastian ; Moldabekov, Zhandos A...
The Journal of Physical Chemistry Letters.  15 (2024)  5 - p. 1305-1313 , 2024
Link: https://doi.org/10.1021/..
 
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3

Ultrahigh resolution x-ray Thomson scattering measurements ..:

Gawne, Thomas ; Moldabekov, Zhandos A. ; Humphries, Oliver S....
Physical Review B.  109 (2024)  24 - p. , 2024
Link: https://doi.org/10.1103/..
 
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4

Ultrafast Heating-Induced Suppression of d-Band Dominance i..:

Moldabekov, Zhandos ; Gawne, Thomas D. ; Schwalbe, Sebastian...
ACS Omega.  9 (2024)  23 - p. 25239-25250 , 2024
Link: https://doi.org/10.1021/..
 
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5

Ab initio path integral Monte Carlo simulations of warm den..:

Dornheim, Tobias ; Schwalbe, Sebastian ; Böhme, Maximilian P....
The Journal of Chemical Physics.  160 (2024)  16 - p. , 2024
Link: https://doi.org/10.1063/..
 
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6

Bound-State Breaking and the Importance of Thermal Exchange..:

Moldabekov, Zhandos ; Schwalbe, Sebastian ; Böhme, Maximilian P....
Journal of Chemical Theory and Computation.  20 (2023)  1 - p. 68-78 , 2023
Link: https://doi.org/10.1021/..
 
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7

Bond formation insights into the Diels–Alder reaction: A bo..:

Schulze, Wanja Timm ; Schwalbe, Sebastian ; Trepte, Kai...
The Journal of Chemical Physics.  158 (2023)  16 - p. , 2023
Link: https://doi.org/10.1063/..
 
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8

Effect of Molecular and Electronic Geometries on the Electr..:

, In: Springer Proceedings in Physics; Optics and Its Applications,
Liebing, Simon ; Trepte, Kai ; Schwalbe, Sebastian - p. 167-186 , 2022
Link: https://doi.org/10.1007/..
 
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9

How good are recent density functionals for ground and exci..:

Schwalbe, Sebastian ; Trepte, Kai ; Lehtola, Susi
The Journal of Chemical Physics.  157 (2022)  17 - p. , 2022
Link: https://doi.org/10.1063/..
 
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10

Chemical bonding theories as guides for self-interaction co..:

Trepte, Kai ; Schwalbe, Sebastian ; Liebing, Simon...
The Journal of Chemical Physics.  155 (2021)  22 - p. , 2021
Link: https://doi.org/10.1063/..
 
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11

Testing Self‐Interaction Correction for Molecules in Soluti..:

Kraus, Jakob ; Schwalbe, Sebastian ; Trepte, Kai.
Advanced Engineering Materials.  24 (2021)  2 - p. , 2021
Link: https://doi.org/10.1002/..
 
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12

porE: A code for deterministic and systematic analyses of p..:

Trepte, Kai ; Schwalbe, Sebastian
Journal of Computational Chemistry.  42 (2021)  9 - p. 630-643 , 2021
Link: https://doi.org/10.1002/..
 
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13

PyFLOSIC: Python-based Fermi–Löwdin orbital self-interactio..:

Schwalbe, Sebastian ; Fiedler, Lenz ; Kraus, Jakob...
The Journal of Chemical Physics.  153 (2020)  8 - p. , 2020
Link: https://doi.org/10.1063/..
 
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14

Interpretation and Automatic Generation of Fermi‐Orbital De..:

Schwalbe, Sebastian ; Trepte, Kai ; Fiedler, Lenz...
Journal of Computational Chemistry.  40 (2019)  32 - p. 2843-2857 , 2019
Link: https://doi.org/10.1002/..
 
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15

Stretched or noded orbital densities and self-interaction c..:

Shahi, Chandra ; Bhattarai, Puskar ; Wagle, Kamal...
The Journal of Chemical Physics.  150 (2019)  17 - p. , 2019
Link: https://doi.org/10.1063/..
 
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