TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation
Author:
Affiliation:
1. Helmholtz-Zentrum Berlin für Materialien und Energie GmbH
2. Institute for Methods and Instrumentation for Synchrotron Radiation Research
3. 12489 Berlin
4. Germany
5. Universität Potsdam
Abstract
Truncation of orbital subspaces in TD-DFT yields an accurate description of RIXS spectra for soft X-ray K-edges.
Funder
Horizon 2020 Framework Programme
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04726K
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1. A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering
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