Quantum-mechanical Hartree-Fock self-consistent-field study of the elastic constants and chemical bonding ofMgF2(sellaite)
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.44.3509/fulltext
Reference40 articles.
1. Theory for the Forces between Closed‐Shell Atoms and Molecules
2. Electron-gas theory of ionic crystals, including many-body effects
3. Density-functional theory for the energy of crystals: Test of the ionic model
4. First-principles theory for the equations of state of minerals at high pressures and temperatures: Application to MgO
5. Potential-induced breathing model for the elastic moduli and high-pressure behavior of the cubic alkaline-earth oxides
Cited by 76 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. Physical properties of magnesium fluoride: FPLAPW Approach;Phase Transitions;2023-06-16
2. Ab initio calculations of pure and Co+2-doped MgF2 crystals;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2020-05
3. Numerical prediction of structural stability and thermodynamic properties for MgF2 with fluorite- type structure under high pressure;Acta Physica Sinica;2020
4. Constructing transformation paths for conformational changes in (MgF2)n clusters using a stochastic procedure;Molecular Physics;2019-07-28
5. Structure, electronic properties and vibrational spectra of (MgF2)nclusters through a combination of genetic algorithm and DFT-based approach;Molecular Physics;2015-07-09
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