RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions-Reference-Cited by-同舟云学术

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RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions

Published:2024-02-29 Issue:5 Volume:20 Page:1796-1801
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Vila Fernando D.¹^ORCID,Rehr John J.¹^ORCID,Kowalski Karol²^ORCID,Peng Bo³^ORCID

Affiliation:

1. Department of Physics, University of Washington, Seattle, Washington 98195, United States

2. William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, United States

3. Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01371

Reference40 articles.

1. Hüfner, S.; Schmidt, S.; Reinert, F. Photoelectron spectroscopy─An overviewNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. Proceedings of the Workshop on Hard X-ray Photoelectron Spectroscopy; 2005; Vol. 547, pp 8–23,10.1016/j.nima.2005.05.008.

2. Experimental methods in chemical engineering: X‐ray photoelectron spectroscopy‐XPS

3. Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra

4. Equation-of-Motion Coupled-Cluster Cumulant Green’s Function for Excited States and X-Ray Spectra

5. Real-Time Coupled-Cluster Approach for the Cumulant Green’s Function

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