Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory-Reference-Cited by-同舟云学术

Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory

Published:2022 Issue:8 Volume:24 Page:4769-4784
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

de Moura Carlos E. V.¹^ORCID,Sokolov Alexander Yu.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio, 43210, USA

Abstract

A new theoretical approach for the simulations of X-ray photoelectron spectra of strongly correlated molecular systems that combines multireference algebraic diagrammatic construction theory (MR-ADC) with a core–valence separation (CVS) technique.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05476G

Reference173 articles.

1. Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries

2. Photoinduced Structural Dynamics of Molecular Systems Mapped by Time-Resolved X-ray Methods

3. The ultrafast X-ray spectroscopic revolution in chemical dynamics

4. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules

5. The physics of x-ray free-electron lasers

Cited by 15 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

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. Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection;Molecular Physics;2024-09-04

3. Electron Binding Energies of Open-Shell Species from Diagonal Electron-Propagator Self-Energies with Unrestricted Hartree–Fock Spin–Orbitals;The Journal of Physical Chemistry A;2024-08-14

4. Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra;The Journal of Physical Chemistry A;2024-07-04

5. Simulating transient X-ray photoelectron spectra of Fe(CO)₅ and its photodissociation products with multireference algebraic diagrammatic construction theory;Physical Chemistry Chemical Physics;2024