Density matrix renormalization group for transcorrelated Hamiltonians: Ground and excited states in molecules K Liao, H Zhai, EMC Christlmaier, T Schraivogel, PL Ríos, D Kats, A Alavi Journal of Chemical Theory and Computation 19 (6), 1734-1743, 2023 | 22 | 2023 |
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field EMC Christlmaier, D Kats, A Alavi, D Usvyat The Journal of Chemical Physics 156 (15), 2022 | 17 | 2022 |
A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices S Donets, A Pershin, EMC Christlmaier, SA Baeurle The Journal of Chemical Physics 138 (9), 094901, 2013 | 16 | 2013 |
xTC: An efficient treatment of three-body interactions in transcorrelated methods EMC Christlmaier, T Schraivogel, P López Ríos, A Alavi, D Kats The Journal of Chemical Physics 159 (1), 2023 | 14 | 2023 |
Transcorrelated coupled cluster methods. II. Molecular systems T Schraivogel, EMC Christlmaier, P López Ríos, A Alavi, D Kats The Journal of Chemical Physics 158 (21), 2023 | 13 | 2023 |
Orbital optimisation in xTC transcorrelated methods D Kats, EMC Christlmaier, T Schraivogel, A Alavi Faraday Discussions 254, 382-401, 2024 | 3 | 2024 |
Transcorrelated Theory with Pseudopotentials K Simula, EMC Christlmaier, MA Filip, JP Haupt, D Kats, P Lopez-Rios, ... arXiv preprint arXiv:2412.05885, 2024 | | 2024 |
Transcorrelated Methods Applied to Second Row Elements MA Filip, PL Ríos, JP Haupt, EMC Christlmaier, D Kats, A Alavi arXiv preprint arXiv:2411.03175, 2024 | | 2024 |
CC2 response method using local correlation and density fitting approximations for the calculation of the electronic g-tensor of extended open-shell molecules EMC Christlmaier https://doi.org/10.18452/28532, 2021 | | 2021 |