Density-functional expansion methods: Generalization of the auxiliary basis
Author:
Funder
National Institutes of Health
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3587052
Reference62 articles.
1. A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules
2. A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
3. The SCC-DFTB method and its application to biological systems
4. Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method: Third-Order Expansion of the Density Functional Theory Total Energy and Introduction of a Modified Effective Coulomb Interaction
5. Looking at Self-Consistent-Charge Density Functional Tight Binding from a Semiempirical Perspective
Cited by 11 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. Three-Center Tight-Binding Together with Multipolar Auxiliary Functions;Journal of Chemical Theory and Computation;2024-03-14
2. DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B);Computer Physics Communications;2017-12
3. Quantum mechanical force fields for condensed phase molecular simulations;Journal of Physics: Condensed Matter;2017-08-17
4. Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations;Journal of Chemical Theory and Computation;2017-04-26
5. Multipolar Ewald Methods, 1: Theory, Accuracy, and Performance;Journal of Chemical Theory and Computation;2015-01-14
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