Benchmark of <i>GW</i> Methods for Core-Level Binding Energies-Reference-Cited by-同舟云学术

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Benchmark of GW Methods for Core-Level Binding Energies

Published:2022-11-02 Issue:12 Volume:18 Page:7570-7585
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Li Jiachen¹^ORCID,Jin Ye¹,Rinke Patrick²^ORCID,Yang Weitao¹^ORCID,Golze Dorothea²³^ORCID

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina27708, United States

2. Department of Applied Physics, Aalto University, Otakaari 1, FI-02150Espoo, Finland

3. Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, 01062Dresden, Germany

Funder

Division of Chemistry

Deutsche Forschungsgemeinschaft

Horizon 2020 Framework Programme

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00617

Reference110 articles.

1. The interpretation of XPS spectra: Insights into materials properties

2. Electronic Structure of the Surface of the Ionic Liquid [EMIM][Tf2N] Studied by Metastable Impact Electron Spectroscopy (MIES), UPS, and XPS

3. Charging of ionic liquid surfaces under X-ray irradiation: the measurement of absolute binding energies by XPS

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1. Benchmark Study of Core-Ionization Energies with the Generalized Active Space-Driven Similarity Renormalization Group;Journal of Chemical Theory and Computation;2024-09-13

2. Long-range Corrected Density Functional Theory Including a Two-Gaussian Hartree−Fock Operator for High Accuracy Core-excitation Energy Calculations of Both the Second- and Third-Row Atoms (LC2gau-core-BOP);Journal of Chemical Theory and Computation;2024-08-06

3. BSE@GW Prediction of Charge Transfer Exciton in Molecular Complexes: Assessment of Self-Energy and Exchange-Correlation Dependence;The Journal of Physical Chemistry A;2024-07-16

4. Chemical Potentials and the One-Electron Hamiltonian of the Second-Order Perturbation Theory from the Functional Derivative Approach;The Journal of Physical Chemistry A;2024-06-06

5. The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles study;The Journal of Chemical Physics;2024-06-03

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