Publications
Preprint:
Z. Cui, J. Yang, J. Tölle, H. Z. Ye, H. Zhai, R. Kim, X. Zhang, L. Lin, T. C. Berkelbach, G. K. L. Chan, arXiv:2306.16561
Ab initio quantum many-body description of superconducting trends in the cuprates
16) J. Tölle, G. Chan, J. Chem. Phys., 2024, 160, 164108
AB-G0W0: A practical G0W0 method without frequency integration based on an auxiliary boson expansion
15) S. Käfer, N. Niemeyer, J. Tölle, J. Neugebauer, J. Chem. Theory Comput., 2024, 20, 2475
Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory
14) J. Tölle, N. Niemeyer, J. Neugebauer, J. Chem. Theory Comput., 2024, 20, 2022
13) H. Zhai, H. R. Larsson, S. Lee, Z. Cui, T. Zhu, C. Sun, L. Peng, R. Peng, K. Liao, J. Tölle, J. Yang, S. Li, G. K. L. Chan, J. Chem. Phys., 2023, 159, 234801
12) J. A. Martinez B, L, Paetow, J. Tölle, X. Shao, P. Ramos, J. Neugebauer,M. Pavanello, J. Phys. Chem. B, 2023, 127, 5470
Which Physical Phenomena Determine the Ionization Potential of Liquid Water?
11) J. Tölle, G. K.-L. Chan, J. Chem. Phys., 2023, 158, 124123
10) N. Niemeyer, P. Eschenbach, M. Bensberg, J. Tölle, L. Hellmann, L. Lampe, A. Massolle, A. Rikus, D. Schnieders, J. P. Unsleber, J. Neugebauer, WIREs, 2022
The subsystem quantum chemistry program Serenity
9) L. Hellmann, J. Tölle, N. Niemeyer, and J. Neugebauer, J. Chem. Theory Comput., 2022, 18, 2959
8) J. Tölle, J. Neugebauer, J. Phys. Chem. Lett., 2022, 13, 1742
7) J. Tölle, T. Deilmann, M. Rohlfing, J. Neugebauer, J. Chem. Theory Comput., 2021, 17 , 2186
Subsystem-based GW/Bethe–Salpeter- Equation
6) J. Tölle, L. Cupellini, B. Mennucci, J. Neugebauer, J. Chem. Phys., 2020, 153, 184113
5) N. Niemeyer, J. Tölle, J. Neugebauer, J. Chem. Theory Comput, 2020, 16, 3104
4) L. Scholz, J. Tölle, J. Neugebauer, Int. J. Quantum Chem., 2020, e26213
3) J. Tölle, M. Böckers, N. Niemeyer, J. Neugebauer, J. Chem. Phys., 2019, 151, 174109
2) J. Tölle, P. Ramos, A. S. P. Gomes, M. Pavanello, J. Chem. Phys., 2019, 150, 181101
Exact subsystem time-dependent density-functional theory
1) J. Tölle, P. Ramos, A. S. P. Gomes, M. Pavanello, Int. J. of Quantum. Chem., 2019, 119, e25801