Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, United States
Funder
American Chemical Society Petroleum Research Fund
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b01206
Reference63 articles.
1. Time dependent density functional theory of core electrons excitations
2. Fast Time-Dependent Density Functional Theory Calculations of the X-ray Absorption Spectroscopy of Large Systems
3. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
4. X-ray Absorption in Insulators with Non-Hermitian Real-Time Time-Dependent Density Functional Theory
5. Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants
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