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Kretz, Bernhard;Egger, David A.
Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory
Journal of Chemical Theory and Computation
2020
17
1
357-366
Brenner, Thomas M.;Gehrmann, Christian;Korobko, Roman;Livneh, Tsachi;Egger, David A.;Yaffe, Omer
Anharmonic host-lattice dynamics enable fast ion conduction in superionic AgI
Physical Review Materials
2020
4
11
Asher, Maor;Angerer, Daniel;Korobko, Roman;Diskin‐Posner, Yael;Egger, David A.;Yaffe, Omer
Anharmonic Lattice Vibrations in Small‐Molecule Organic Semiconductors
Advanced Materials
2020
32
10
1908028
Seidl, Stefan A.;Kretz, Bernhard;Gehrmann, Christian;Egger, David A.
Assessing the accuracy of screened range-separated hybrids for bulk properties of semiconductors
Physical Review Materials
2021
5
3
Dyksik, Mateusz;Duim, Herman;Zhu, Xiangzhou;Yang, Zhuo;Gen, Masaki;Kohama, Yoshimitsu;Adjokatse, Sampson;Maude, Duncan K.;Loi, Maria Antonietta;Egger, David A.;Baranowski, Michal;Plochocka, Paulina
Broad Tunability of Carrier Effective Masses in Two-Dimensional Halide Perovskites
ACS Energy Letters
2020
5
11
3609-3616
Ziegler, Jonas D.;Zipfel, Jonas;Meisinger, Barbara;Menahem, Matan;Zhu, Xiangzhou;Taniguchi, Takashi;Watanabe, Kenji;Yaffe, Omer;Egger, David A.;Chernikov, Alexey
Fast and Anomalous Exciton Diffusion in Two-Dimensional Hybrid Perovskites
Nano Letters
2020
20
9
6674-6681
Wruss, Elisabeth;Prokopiou, Georgia;Kronik, Leeor;Zojer, Egbert;Hofmann, Oliver T.;Egger, David A.
Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver
Physical Review Materials
2019
3
8
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