A comparison of Car—Parrinello and Born—Oppenheimer generalized valence bond molecular dynamics
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Born–Oppenheimer dynamics using density‐functional theory: Equilibrium and fragmentation of small sodium clusters
3. First principles molecular dynamics of Li: Test of a new algorithm
4. First-principles simulation of liquid silicon using Langevin dynamics with quantum interatomic forces
5. Ab initiomolecular-dynamics techniques extended to large-length-scale systems
Cited by 58 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. QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations;Computer Physics Communications;2024-02
2. Qmmm 2023: A Program for Combined Quantum Mechanical and Molecular Mechanical Modeling and Simulations;2023
3. Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory;Journal of Chemical Theory and Computation;2022-01-14
4. Energy disposal into the vibrational degrees of freedom of bimolecular reaction products: Key factors and simple model;Chemical Physics;2021-04
5. Ab Initio Molecular Dynamics Studies of Fast Ion Conductors;Computational Materials System Design;2017-11-11
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