Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra
Author:
Affiliation:
1. DTU Chemistry - Department of Chemistry, Technical University of Denmark, Kemitorvet Bldg 207, DK-2800 Kongens Lyngby, Denmark
2. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, United States
Funder
Division of Chemistry
Danmarks Tekniske Universitet
Det Frie Forskningsr?d
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c02027
Reference79 articles.
1. X-Ray Absorption and X-Ray Emission Spectroscopy
2. Energy and Environment Series 18;Bergmann U.,2017
3. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules
4. An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
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