Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core–Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory
Author:
Affiliation:
1. DTU 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, United States
Funder
Division of Chemistry
Danmarks Frie Forskningsfond
H2020 Marie Sklodowska-Curie Actions
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00541
Reference96 articles.
1. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
2. Coupled-cluster theory in quantum chemistry
3. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
4. Coupled cluster response functions
5. Response functions from Fourier component variational perturbation theory applied to a time-averaged quasienergy
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