Ab Initio Prediction of Excited-State and Polaron Effects in Transient XUV Measurements of α-Fe2O3 IM Klein, H Liu, D Nimlos, A Krotz, SK Cushing Journal of the American Chemical Society 144 (28), 12834-12841, 2022 | 12 | 2022 |
Quantum ensembles of silicon nanoparticles: discrimination of static and dynamic photoluminescence quenching processes G Hollett, DS Roberts, M Sewell, E Wensley, J Wagner, W Murray, A Krotz, ... The Journal of Physical Chemistry C 123 (29), 17976-17986, 2019 | 12 | 2019 |
A reciprocal-space formulation of mixed quantum–classical dynamics A Krotz, J Provazza, R Tempelaar The Journal of Chemical Physics 154 (22), 2021 | 8 | 2021 |
A reciprocal-space formulation of surface hopping A Krotz, R Tempelaar The Journal of Chemical Physics 156 (2), 2022 | 7 | 2022 |
A mean-field treatment of vacuum fluctuations in strong light–matter coupling MH Hsieh, A Krotz, R Tempelaar The Journal of Physical Chemistry Letters 14 (5), 1253-1258, 2023 | 6 | 2023 |
Ab Initio Calculations of XUV Ground and Excited States for First-Row Transition Metal Oxides IM Klein, A Krotz, W Lee, JM Michelsen, SK Cushing The Journal of Physical Chemistry C 127 (2), 1077-1086, 2023 | 3 | 2023 |
Treating geometric phase effects in nonadiabatic dynamics A Krotz, R Tempelaar Physical Review A 109 (3), 032210, 2024 | 2 | 2024 |
Ehrenfest modeling of cavity vacuum fluctuations and how to achieve emission from a three-level atom MH Hsieh, A Krotz, R Tempelaar The Journal of Chemical Physics 159 (22), 2023 | 1 | 2023 |
Unitary Basis Transformations in Mixed Quantum-Classical Dynamics K Miyazaki, A Krotz, R Tempelaar arXiv preprint arXiv:2404.15614, 2024 | | 2024 |
Ab Initio Prediction of Excited State and Polaron Effects in Transient XUV Measurements of α-Fe₂O₃ IM Klein, H Liu, D Nimlos, A Krotz, SK Cushing | | 2022 |
Towards mixed quantum-classical simulations of nonequilibrium phenomena in bulk and low-dimensional materials R Tempelaar, A Krotz, J Provazza APS March Meeting Abstracts 2022, M46. 011, 2022 | | 2022 |