Simulating X-ray Absorption Spectra with Linear-Response Density Cumulant Theory
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States
2. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States
Funder
Ohio State University
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b12259
Reference103 articles.
1. Gas-Phase Experimental and Theoretical Near Edge X-ray Absorption Fine Structure Study of 2-Mercaptobenzothiazole
2. The Structure of the First Coordination Shell in Liquid Water
3. Soft X-ray absorption spectroscopy in liquid environments
4. Near edge X-ray absorption fine structure spectroscopy as a tool to probe electronic and structural properties of thin organic films and liquids
5. A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine
Cited by 27 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. 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
3. TDDFT and the x-ray absorption spectrum of liquid water: Finding the “best” functional;The Journal of Chemical Physics;2024-06-17
4. 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
5. Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states;The Journal of Chemical Physics;2023-10-09
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