Density Functional Theory Based Methods for the Calculation of X-ray Spectroscopy
Author:
Affiliation:
1. School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom
Funder
Engineering and Physical Sciences Research Council
Leverhulme Trust
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.0c00171
Reference60 articles.
1. Selective gating to vibrational modes through resonant X-ray scattering
2. Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
3. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy
4. Resonant Inelastic X-ray Scattering and Nonesonant X-ray Emission Spectra from Coupled-Cluster (Damped) Response Theory
5. New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States
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