Johannes T Margraf
7PUBLICATIONS
10CO-AUTHORS
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Publications (7)
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|Jan 01, 2022
Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO<sub>2</sub> and RuO<sub>2</sub>.Jakob Timmermann, Yonghyuk Lee, Carsten G Staacke
|Jul 01, 2019
Towards density functional approximations from coupled cluster correlation energy densities.Johannes T Margraf, Christian Kunkel, Karsten Reuter
|Feb 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals.Duminda S Ranasinghe, Johannes T Margraf, Ajith Perera
|Jun 17, 2018
Communication: Coupled cluster and many-body perturbation theory for fractional charges and spins.Johannes T Margraf, Rodney Bartlett
|May 10, 2018
Valence and charge-transfer optical properties for some Si<sub>n</sub>C<sub>m</sub> (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy.Jesse J Lutz, Xiaofeng F Duan, Duminda S Ranasinghe
|Nov 17, 2017
Single-reference coupled cluster theory for multi-reference problems.Johannes T Margraf, Ajith Perera, Jesse J Lutz
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Frequent Collaborators
2 joint publications
Yifan Jin
2 joint publications
Jesse J Lutz
2 joint publications
Rodney J Bartlett
2 joint publications
Karsten Reuter
1 joint publications
Larry W Burggraf
1 joint publications
Duminda S Ranasinghe
1 joint publications
Christian Kunkel
1 joint publications
Jakob Timmermann
1 joint publications
Yonghyuk Lee
1 joint publications
Christoph Scheurer
