On the basis set selection for calculations of core-level states: different strategies to balance cost and accuracy
Author:
Affiliation:
1. Department of Chemistry, University of Southern California, Los Angeles, CA, USA
2. DTU Chemistry – Department of Chemistry, Technical University of Denmark, Lyngby, Denmark
Funder
U.S. National Science Foundation
CFEL/DESY
Independent Research Fund Denmark–Natural Sciences
European Union's Horizon 2020 Research and Innovation Programme
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1769872
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