Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements-Reference-Cited by-同舟云学术

Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements

Published:2022 Issue:22 Volume:24 Page:13587-13596
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zheng Xuechen¹^ORCID,Zhang Chaoqun¹,Jin Zheqi²,Southworth Stephen H.³,Cheng Lan¹^ORCID

Affiliation:

1. Department of Chemistry, The Johns Hopkins University, Baltimore, MD 21218, USA

2. Department of Chemistry, University College London, London, WC1E 6BT, UK

3. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, USA

Abstract

A benchmark computational study of K-edge core-ionization energies of third-row elements using relativistic delta-coupled-cluster (ΔCC) methods and a revised core valence separation (CVS) scheme is reported.

Funder

Basic Energy Sciences

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/D2CP00993E

Reference109 articles.

1. Femtosecond X-Ray Pulses of Synchrotron Radiation

2. Generation of Femtosecond Pulses of Synchrotron Radiation

3. Production of a keV X-Ray Beam from Synchrotron Radiation in Relativistic Laser-Plasma Interaction

4. S.Mobilio , F.Boscherini and C.Meneghini , Synchrotron radiation: basics, methods and applications , Springer-Verlag Berlin Heidelberg , 2015

5. Femtosecond electronic response of atoms to ultra-intense X-rays

Cited by 7 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. Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection;Molecular Physics;2024-09-04

2. MP2-Based Composite Extrapolation Schemes Can Predict Core-Ionization Energies for First-Row Elements with Coupled-Cluster Level Accuracy;The Journal of Physical Chemistry A;2024-08-09

3. Real-Space Pseudopotential Method for the Calculation of Third-Row Elements X-ray Photoelectron Spectroscopic Signatures;Journal of Chemical Theory and Computation;2024-07-06

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. Reference Energies for Valence Ionizations and Satellite Transitions;Journal of Chemical Theory and Computation;2024-05-22