Time-Dependent Density Functional Theory for X-ray Absorption Spectra: Comparing the Real-Time Approach to Linear Response
Author:
Affiliation:
1. Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States
2. Chemical Physics Graduate Program, The Ohio State University, Columbus, Ohio 43210, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00673
Reference132 articles.
1. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules
2. Theoretical X‐ray spectroscopy of transition metal compounds
3. Ab initio methods for L-edge x-ray absorption spectroscopy
4. Density Functional Theory Based Methods for the Calculation of X-ray Spectroscopy
5. Modeling of the spectroscopy of core electrons with density functional theory
Cited by 5 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. A new parameterization of the DFT/CIS method with applications to core-level spectroscopy;The Journal of Chemical Physics;2024-07-25
2. TDDFT and the x-ray absorption spectrum of liquid water: Finding the “best” functional;The Journal of Chemical Physics;2024-06-17
3. Evaluating the Impact of the Tamm–Dancoff Approximation on X-ray Spectrum Calculations;Journal of Chemical Theory and Computation;2024-02-22
4. Generalization of One-Center Nonorthogonal Configuration Interaction Singles to Open-Shell Singlet Reference States: Theory and Application to Valence-Core Pump-Probe States in Acetylacetone;Journal of Chemical Theory and Computation;2024-01-02
5. Visualizing and characterizing excited states from time-dependent density functional theory;Physical Chemistry Chemical Physics;2024
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