Ionization energies of water from PNO-CI calculations
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference26 articles.
1. Study of the Electronic Structure of Molecules. VIII. All‐Electron SCF Wavefunctions for Pyridine Positive Ion, 2A2
2. Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions
3. Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O
4. One‐Electron Properties of Near‐Hartree–Fock Wavefunctions. I. Water
Cited by 562 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. Role of the action function in defining electronic wavefunctions for large systems;International Journal of Modern Physics B;2024-08-23
2. In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back;Advanced Materials;2024-05-25
3. Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals;The Journal of Chemical Physics;2024-05-16
4. Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground state energy;The Journal of Chemical Physics;2024-03-13
5. Making quantum chemistry compressive and expressive: Toward practical ab‐initio simulation;WIREs Computational Molecular Science;2024-03
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