Energy expressions in density-functional theory using line integrals
Author:
Publisher
American Physical Society (APS)
Subject
Atomic and Molecular Physics, and Optics
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.51.170/fulltext
Reference36 articles.
1. Density Functional Theory
2. Optimization of molecular structures by self‐consistent and nonlocal density‐functional theory
3. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction
4. The performance of a family of density functional methods
5. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Cited by 68 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. First step toward a parameter-free, nonlocal kinetic energy density functional for semiconductors and simple metals;The Journal of Chemical Physics;2024-06-14
2. Recent advancements and challenges in orbital‐free density functional theory;WIREs Computational Molecular Science;2024-05
3. Calculating Potential Energy Surfaces with Quantum Computers by Measuring Only the Density Along Adiabatic Transitions;Journal of Chemical Theory and Computation;2024-04-11
4. Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular Interactions;Journal of Chemical Theory and Computation;2023-11-21
5. Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations;Chemical Reviews;2023-10-23
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