Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride
Author:
Affiliation:
1. Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, USA
Funder
National Science Foundation
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5094035
Reference43 articles.
1. Protonic Structure of Molecules. I. Ammonia Molecules
2. Multicomponent Density-Functional Theory for Electrons and Nuclei
3. Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
4. Simultaneous optimization of Gaussian type function exponents for electron and positron with full-CI wavefunction – application to ground and excited states of positronic compounds with multi-component molecular orbital approach
5. Nonrelativistic variational calculations of the positronium molecule and the positronium hydride
Cited by 33 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. Production of positronium chloride: A study of the charge exchange reaction between Ps and Cl−;The Journal of Chemical Physics;2024-03-08
2. How Coupled-Cluster Theory is Solving the Electron Correlation Problem;Comprehensive Computational Chemistry;2024
3. Quantifying errors of electron-proton/muon correlation functionals through the Kohn-Sham inversion of a two-component model system;Physical Review B;2023-12-22
4. Toward Accurate Post-Born–Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals;Journal of Chemical Theory and Computation;2023-12-11
5. Nuclear–Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time Dynamics;The Journal of Physical Chemistry Letters;2023-10-19
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