Complete-active-space extended Koopmans theorem method-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Complete-active-space extended Koopmans theorem method

Published:2021-08-07 Issue:5 Volume:155 Page:051102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Davidson Ernest R.¹^ORCID,Ortiz Joseph Vincent²^ORCID,Staroverov Viktor N.³^ORCID

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, USA

2. Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849-5312, USA

3. Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0058080

Reference37 articles.

1. A generalization of the hartree-fock one-particle potential

2. Extension of Koopmans’ theorem. I. Derivation

3. An extension of koopmans' theorem III. ionization energies of the open-shell atoms Li and B

4. Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density

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. A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies;The Journal of Chemical Physics;2023-09-26

2. Koopmans' theorem for acidic protons;Chemical Communications;2023

3. Errors in approximate ionization energies due to the one-electron space truncation of the EKT eigenproblem;The Journal of Chemical Physics;2022-08-14

4. Manifestations of strong electron correlation in polyacene: Fundamental gap, density of states, and photoconductivity;Carbon Trends;2022-04

5. Recent progress in electron-propagator, extended-Koopmans-theorem and self-consistent-field approaches to the interpretation and prediction of electron binding energies;Advances in Quantum Chemistry;2022

同舟云学术

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