Using Hessian update formulae to construct modified Shepard interpolated potential energy surfaces: Application to vibrating surface atoms
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4868637
Reference32 articles.
1. Permutationally invariant potential energy surfaces in high dimensionality
2. N+CN→C+N2: A global potential energy surface, entrance channel recrossing and the applicability of capture theory
3. Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces?
4. Descriptions of surface chemical reactions using a neural network representation of the potential-energy surface
5. A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks
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. Modeling Photodissociation: Quantum Dynamics Simulations of Methanol;The Journal of Physical Chemistry A;2024-08-28
2. Non-adiabatic direct quantum dynamics using force fields: Toward solvation;The Journal of Chemical Physics;2024-05-07
3. Quantum dynamics of excited state proton transfer in green fluorescent protein;The Journal of Chemical Physics;2024-02-14
4. Assessing and rationalizing the performance of Hessian update schemes for reaction path Hamiltonian rate calculations;The Journal of Chemical Physics;2021-11-28
5. Computational approaches to dissociative chemisorption on metals: towards chemical accuracy;Physical Chemistry Chemical Physics;2021
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