Using core-hole reference states for calculating X-ray photoelectron and emission spectra
Author:
Affiliation:
1. Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, Heidelberg 69120, Germany
2. Department of Theoretical Chemistry and Biology, KTH Royal Institute of Technology, Stockholm 10691, Sweden
Abstract
Funder
Air Force Office of Scientific Research
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/D2CP00584K
Reference60 articles.
1. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules
2. X-Ray Absorption and X-Ray Emission Spectroscopy: Theory and Applications , ed. J. A. van Bokhoven and C. Laberti , John Wiley & Sons , 2016
3. High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
4. Many-body theory of core holes
5. Many-body theory of core-valence excitations
Cited by 9 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. Δ-based composite models for calculating x-ray absorption and emission energies;The Journal of Chemical Physics;2023-12-12
2. Calibrating TDDFT Calculations of the X-ray Emission Spectrum of Liquid Water: The Effects of Hartree–Fock Exchange;Journal of Chemical Theory and Computation;2023-10-03
3. Slater transition methods for core-level electron binding energies;The Journal of Chemical Physics;2023-03-06
4. Algebraic diagrammatic construction schemes for the simulation of electronic spectroscopies;Theoretical and Computational Photochemistry;2023
5. Modeling Nonresonant X-ray Emission of Second- and Third-Period Elements without Core-Hole Reference States and Empirical Parameters;Journal of Chemical Theory and Computation;2022-11-09
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3