| Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width M Vacher, L Steinberg, AJ Jenkins, MJ Bearpark, MA Robb Physical Review A 92 (4), 040502, 2015 | 102 | 2015 |
| Electronic control of initial nuclear dynamics adjacent to a conical intersection M Vacher, AJ Jenkins, J Meisner, D Mendive-Tapia, MJ Bearpark, ... XUV/X-ray Light and fast ions for ultrafast chemistry (XLIC) 3rd General …, 2015 | 43 | 2015 |
| Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N, N-dimethylamine (PENNA) cations AJ Jenkins, M Vacher, MJ Bearpark, MA Robb The Journal of Chemical Physics 144 (10), 104110, 2016 | 41 | 2016 |
| Relativistic two-component multireference configuration interaction method with tunable correlation space H Hu, AJ Jenkins, H Liu, JM Kasper, MJ Frisch, X Li Journal of Chemical Theory and Computation 16 (5), 2975-2984, 2020 | 38 | 2020 |
| The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations AJ Jenkins, KE Spinlove, M Vacher, GA Worth, MA Robb The Journal of Chemical Physics 149 (9), 094108, 2018 | 35 | 2018 |
| Variational relativistic Two-Component complete-active-space self-consistent field method AJ Jenkins, H Liu, JM Kasper, MJ Frisch, X Li Journal of Chemical Theory and Computation 15 (5), 2974-2982, 2019 | 34 | 2019 |
| Ab initio methods for L-edge x-ray absorption spectroscopy JM Kasper, TF Stetina, AJ Jenkins, X Li Chemical Physics Reviews 1 (1), 2020 | 32 | 2020 |
| Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane M Vacher, FEA Albertani, AJ Jenkins, I Polyak, MJ Bearpark, MA Robb Faraday discussions 194, 95-115, 2016 | 32 | 2016 |
| Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence AJ Jenkins, M Vacher, RM Twidale, MJ Bearpark, MA Robb The Journal of Chemical Physics 145 (16), 164103, 2016 | 31 | 2016 |
| Time-dependent complete active space embedded in a polarizable force field H Liu, AJ Jenkins, A Wildman, MJ Frisch, F Lipparini, B Mennucci, X Li Journal of Chemical Theory and Computation 15 (3), 1633-1641, 2019 | 20 | 2019 |
| Charge migration engineered by localisation: electron-nuclear dynamics in polyenes and glycine I Polyak, AJ Jenkins, M Vacher, MEF Bouduban, MJ Bearpark, MA Robb Molecular Physics 116 (19-20), 2474-2489, 2018 | 19 | 2018 |
| Exact-two-component relativistic multireference second-order perturbation theory L Lu, H Hu, AJ Jenkins, X Li Journal of Chemical Theory and Computation 18 (5), 2983-2992, 2022 | 17 | 2022 |
| Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems JM Kasper, AJ Jenkins, S Sun, X Li The Journal of Chemical Physics 153 (9), 2020 | 15 | 2020 |
| Exact-two-component multiconfiguration pair-density functional theory P Sharma, AJ Jenkins, G Scalmani, MJ Frisch, DG Truhlar, L Gagliardi, ... Journal of Chemical Theory and Computation 18 (5), 2947-2954, 2022 | 11 | 2022 |
| Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra AJ Jenkins, H Hu, L Lu, MJ Frisch, X Li Journal of Chemical Theory and Computation 18 (1), 141-150, 2021 | 11 | 2021 |
| The “hole” story in ionized water from the perspective of ehrenfest dynamics L Lu, A Wildman, AJ Jenkins, L Young, AE Clark, X Li The Journal of Physical Chemistry Letters 11 (22), 9946-9951, 2020 | 9 | 2020 |
| State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives C Liao, JM Kasper, AJ Jenkins, P Yang, ER Batista, MJ Frisch, X Li JACS Au 3 (2), 358-367, 2023 | 7 | 2023 |
| How nuclear motion affects coherent electron dynamics in molecules MA Robb, AJ Jenkins, M Vacher | 6 | 2018 |
| The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation T Tran, AJ Jenkins, GA Worth, MA Robb The Journal of Chemical Physics 153 (3), 2020 | 5 | 2020 |
| Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling J Ehrman, E Martinez-Baez, AJ Jenkins, X Li Journal of Chemical Theory and Computation 19 (17), 5785-5790, 2023 | 4 | 2023 |
Mike RobbChemistry Department Imperial CollegeVerified email at imperial.ac.uk
