First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states
Author:
Affiliation:
1. Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
Funder
National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0058124
Reference100 articles.
1. Time-Dependent Density Functional Response Theory for Molecules
2. Time-dependent local-density approximation in real time
3. Many-body theory of core holes
4. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
5. Time dependent density functional theory of core electrons excitations
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