Quantum dynamics simulations using Gaussian wavepackets: the vMCG method GW Richings, I Polyak, KE Spinlove, GA Worth, I Burghardt, B Lasorne International Reviews in Physical Chemistry 34 (2), 269-308, 2015 | 325 | 2015 |
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), 2018 | 39 | 2018 |
Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules KE Spinlove, M Vacher, M Bearpark, MA Robb, GA Worth Chemical Physics 482, 52-63, 2017 | 26 | 2017 |
Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods J Coonjobeeharry, KE Spinlove, C Sanz Sanz, M Sapunar, N Došlić, ... Philosophical Transactions of the Royal Society A 380 (2223), 20200386, 2022 | 12 | 2022 |
Low temperature scattering with the R-matrix method: argon-argon scattering T Rivlin, LK McKemmish, KE Spinlove, J Tennyson Molecular Physics 117 (21), 3158-3170, 2019 | 12 | 2019 |
Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide KE Spinlove, GW Richings, MA Robb, GA Worth Faraday discussions 212, 191-215, 2018 | 11 | 2018 |
Prediction through quantum dynamics simulations: Photo-excited cyclobutanone O Bennett, A Freibert, KE Spinlove, GA Worth The Journal of Chemical Physics 160 (17), 2024 | 2 | 2024 |
Low-temperature scattering with the R-matrix method: from nuclear scattering to atom-atom scattering and beyond T Rivlin, LK McKemmish, KE Spinlove, J Tennyson arXiv preprint arXiv:1911.00027, 2019 | 1 | 2019 |
Methods for the treatment of multiple states in non-adiabatic direct quantum dynamics simulations KE Spinlove University of Birmingham, 2018 | | 2018 |
Applying Direct Quantum Dynamics to Photo-Excited Processes: Proton Transfer and Charge Migration KE Spinlove, G Worth | | |
Modern Methods for Multidimensional Dynamics Computations in Chemistry J Coonjobeeharry, KE Spinlove, CS Sanz, M Sapunar, N Došlić | | |