Simon P Neville
13PUBLICATIONS
25CO-AUTHORS
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Publications (13)
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|Oct 22, 2025
The simulation of X-ray absorption spectra including vibronic coupling: application of the QD-DFT/MRCI(2) method.Martha Yaghoubi Jouybari, Simon P Neville, Michael S Schuurman
|Aug 21, 2025
Femtosecond Core-Level Charge Transfer.Simon P Neville, Martha Yaghoubi Jouybari, Michael S Schuurman
|Sep 20, 2024
A DFT/MRCI Hamiltonian parameterized using only ab initio data. II. Core-excited states.Teagan Shane Costain, Jibrael B Rolston, Simon P Neville
|Sep 12, 2024
Time Resolved Quantum Tomography in Molecular Spectroscopy by the Maximal Entropy Approach.Varun Makhija, Rishabh Gupta, Simon Neville
|Jun 20, 2024
Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method.Simon P Neville, Michael S Schuurman
|Jun 10, 2024
A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states.Teagan Shane Costain, Victoria Ogden, Simon P Neville
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Frequent Collaborators
10 joint publications
Michael Schuurman
2 joint publications
Teagan Shane Costain
2 joint publications
Ruaridh Forbes
2 joint publications
Albert Stolow
1 joint publications
Felix Allum
1 joint publications
Mark Brouard
1 joint publications
Jibrael B Rolston
1 joint publications
James P Cryan
1 joint publications
Taran Driver
1 joint publications
Joseph McManus
