Simon Peter Neville
Affiliations: | University of Ottawa, Ottawa, ON, Canada |
Area:
ChemistryGoogle:
"Simon Neville"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Graham Worth | grad student | UCL | |
| Michael Schuurman | post-doc | University of Ottawa |
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Publications
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| Neville SP, Schuurman MS. (2024) Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method. The Journal of Chemical Physics. 160 |
| Costain TS, Ogden V, Neville SP, et al. (2024) A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states. The Journal of Chemical Physics. 160 |
| Zinchenko KS, Ardana-Lamas F, Lanfaloni VU, et al. (2023) Few-femtosecond electronic and structural rearrangements of driven by the Jahn-Teller effect. Structural Dynamics (Melville, N.Y.). 10: 064303 |
| Morrigan L, Neville SP, Gregory M, et al. (2023) Ultrafast Molecular Frame Quantum Tomography. Physical Review Letters. 131: 193001 |
| Wang TY, Neville SP, Schuurman MS. (2023) Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach. The Journal of Physical Chemistry Letters. 14: 7780-7786 |
| Gabalski I, Allum F, Seidu I, et al. (2023) Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS Probed at the S 2p Edge. The Journal of Physical Chemistry Letters. 7126-7133 |
| Neville SP, Schuurman MS. (2022) A perturbative approximation to DFT/MRCI: DFT/MRCI(2). The Journal of Chemical Physics. 157: 164103 |
| Gregory M, Neville S, Schuurman M, et al. (2022) A laboratory frame density matrix for ultrafast quantum molecular dynamics. The Journal of Chemical Physics. 157: 164301 |
| Endo T, Neville SP, Lassonde P, et al. (2022) Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence. Physical Chemistry Chemical Physics : Pccp. 24: 1779-1786 |
| Seidu I, Neville SP, MacDonell RJ, et al. (2022) Resolving competing conical intersection pathways: time-resolved X-ray absorption spectroscopy of -1,3-butadiene. Physical Chemistry Chemical Physics : Pccp. 24: 1345-1354 |