An unusually large nonadiabatic error in the BNB molecule
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3505217
Reference23 articles.
1. Multimode Molecular Dynamics Beyond the Born-Oppenheimer Approximation
2. Improved potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule
3. Toward spectroscopic accuracy of ab initio calculations of vibrational frequencies and related quantities: a case study of the HF molecule
4. Some analysis along the lines of those presented here were in H. Köppel, Ph.D. thesis, TU München, 1979, and has found its way into his lecture notes entitled “Molecular photoexcitation and spectroscopy for strongly coupled potential surfaces,” especially around p. 50
5. DIABATIC REPRESENTATION: METHODS FOR THE CONSTRUCTION OF DIABATIC ELECTRONIC STATES
Cited by 28 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. Symmetry breaking of BNB (−,0,+): Analysis from non-adiabatic interaction;Journal of Chemical Sciences;2023-06-09
2. Conceptual Understanding of Mixed‐Valence Compounds and Its Extension to General Stereoisomerism;Mixed‐Valence Systems;2023-03-10
3. Rapid predictions of the colour purity of luminescent organic molecules;Journal of Materials Chemistry C;2022
4. Unified Understanding of Structure, Reactivity and Spectroscopy Within General Valence Bond Scenarios, Obtained by Transferring Techniques Developed Within Electron-Transfer Theory;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022
5. Symmetry Dilemma of Doubly Hybrid Density Functionals for Equilibrium Molecular Property Calculations;Journal of Chemical Theory and Computation;2021-11-28
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