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Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics
Online Contents | 2016| -
A general approach for the calculation and characterization of x-ray absorption spectra
American Institute of Physics | 2018| -
Removing the Deadwood from DFT/MRCI Wave Functions: The p‑DFT/MRCI Method
American Chemical Society | 2021| -
Efficient Solution of the Electronic Eigenvalue Problem Using Wavepacket Propagation
American Chemical Society | 2018| -
Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation
American Institute of Physics | 2019| -
Removing the deadwood from DFT/MRCI wave functions: The p-DFT/MRCI method
Free accessArXiv | 2021| -
Propagative block diagonalization diabatization of DFT/MRCI electronic states
American Institute of Physics | 2020| -
Formation of electronic coherences in conical intersection-mediated dynamics
IOP Institute of Physics | 2022| -
The role of geometric phase in the formation of electronic coherences at conical intersections
Free accessArXiv | 2020| -
Propagative Block Diagonalisation Diabatisation of DFT/MRCI Electronic States
Free accessArXiv | 2019| -
Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach
Free accessAmerican Chemical Society | 2023| -
Resolving competing conical intersection pathways: time-resolved X-ray absorption spectroscopy of trans-1,3-butadiene
Royal Society of Chemistry | 2022| -
Dynamics in higher lying excited states: Valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives
American Institute of Physics | 2017| -
A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states
American Institute of Physics | 2024|
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