E-LIB Suche - Ergebnisse für: Timothy Berkelbach

1

Adsorption and vibrational spectroscopy of CO on the surfac..:

Ye, Hong-Zhou ; Berkelbach, Timothy C.
Faraday Discussions. , 2024

Link: https://doi.org/10.1039/..

2

Ligand field design enables quantum manipulation of spins i..:

Wojnar, Michael K. ; Kundu, Krishnendu ; Kairalapova, Arailym...
Chemical Science. 15 (2024) 4 - p. 1374-1383 , 2024

Link: https://doi.org/10.1039/..

3

Optical Properties of Defects in Solids via Quantum Embeddi..:

Lau, Bryan T. G. ; Busemeyer, Brian ; Berkelbach, Timothy C.
The Journal of Physical Chemistry C. 128 (2024) 7 - p. 2959-2966 , 2024

Link: https://doi.org/10.1021/..

4

Performance of periodic EOM-CCSD for bandgaps of inorganic ..:

Vo, Ethan A. ; Wang, Xiao ; Berkelbach, Timothy C.
The Journal of Chemical Physics. 160 (2024) 4 - p. , 2024

Link: https://doi.org/10.1063/..

5

Theory of acoustic polarons in the two-dimensional SSH mode..:

Shih, Petra ; Berkelbach, Timothy C.
The Journal of Chemical Physics. 160 (2024) 20 - p. , 2024

Link: https://doi.org/10.1063/..

6

Performant automatic differentiation of local coupled clust..:

Zhang, Xing ; Li, Chenghan ; Ye, Hong-Zhou..
The Journal of Chemical Physics. 161 (2024) 1 - p. , 2024

Link: https://doi.org/10.1063/..

7

Interplay between Local Moment and Itinerant Magnetism in t..:

Han, Sae Young ; Telford, Evan J. ; Kundu, Asish K....
Nano Letters. 23 (2023) 22 - p. 10449-10457 , 2023

Link: https://doi.org/10.1021/..

8

Highly Accurate Electronic Structure of Metallic Solids fro..:

Neufeld, Verena A. ; Berkelbach, Timothy C.
Physical Review Letters. 131 (2023) 18 - p. , 2023

Link: https://doi.org/10.1103/..

9

Anisotropically Fused Clusters Form a 2D Superatomic Sheet ..:

Handa, Taketo ; Shih, Petra ; Koay, Christie S....
The Journal of Physical Chemistry C. 127 (2023) 3 - p. 1519-1526 , 2023

Link: https://doi.org/10.1021/..

10

Electric fields drive bond homolysis:

Zhang, Boyuan ; Schaack, Cedric ; Prindle, Claudia R....
Chemical Science. 14 (2023) 7 - p. 1769-1774 , 2023

Link: https://doi.org/10.1039/..

11

Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for C..:

Liang, Yu Hsuan ; Ye, Hong-Zhou ; Berkelbach, Timothy C.
The Journal of Physical Chemistry Letters. 14 (2023) 46 - p. 10435-10441 , 2023

Link: https://doi.org/10.1021/..

12

Understanding and eliminating spurious modes in variational..:

Zhang, Huan ; Webber, Robert J. ; Lindsey, Michael..
Physical Review Research. 5 (2023) 2 - p. , 2023

Link: https://doi.org/10.1103/..

13

Vibrational heat-bath configuration interaction with semist..:

Tran, Henry K. ; Berkelbach, Timothy C.
The Journal of Chemical Physics. 159 (2023) 19 - p. , 2023

Link: https://doi.org/10.1063/..

14

Room-temperature wavelike exciton transport in a van der Wa..:

Tulyagankhodjaev, Jakhangirkhodja A. ; Shih, Petra ; Yu, Jessica...
Science. 382 (2023) 6669 - p. 438-442 , 2023

Link: https://doi.org/10.1126/..

15

Accurate Quantum Chemical Reaction Energies for Lithium-Med..:

Debnath, Sibali ; Neufeld, Verena A. ; Jacobson, Leif D....
The Journal of Physical Chemistry A. 127 (2023) 44 - p. 9178-9184 , 2023

Link: https://doi.org/10.1021/..