The problem of hole localization in inner-shell states of N2 and CO2 revisited with complete active space self-consistent field approach
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3666016
Reference45 articles.
1. Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion
2. Theoretical study of the 400 eV core‐excited valence states of N2
3. Role of localization in the prediction of core ESCA lineshapes of N2, O2 and NO
4. Core-hole Hamiltonians and corrected equivalent core model for systems with equivalent atoms
5. Localized and delocalized core holes and their interrelation
Cited by 14 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. Ionic Fragmentation of the Halothane Molecule Induced by EUV and Soft X-ray Radiation;The Journal of Physical Chemistry A;2024-08-23
3. 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
4. Potential energy curves of molecular nitrogen up to N 24+;Journal of Physics B: Atomic, Molecular and Optical Physics;2023-09-19
5. Core–hole delocalization for modeling x-ray spectroscopies: A cautionary tale;The Journal of Chemical Physics;2022-06-07
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