Toward a Wave-Function-Based Treatment of Metals: Extrapolation from Finite Clusters
Author:
Affiliation:
1. Institut für Theoretische Chemie, Universität Stuttgart D-70550 Stuttgart, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp900955h
Reference32 articles.
1. Lecture Notes in Chemistry Series 48;Pisani C.,1988
2. On the computation of electronic correlation energies within the local approach
3. Abinitiocorrelation calculation for metallic lithium
4. Correlation energy of diamond
5. Quantum chemical approach to cohesive properties of NiO
Cited by 7 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 Multireference Correlation Treatment of Bulk Metals;Journal of Chemical Theory and Computation;2014-03-06
2. Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid – The case of group 1 and 11 metals (Li,Cu);Chemical Physics Letters;2011-01
3. Convergence of the Møller-Plesset perturbation series for the fcc lattices of neon and argon;Physical Review B;2010-11-10
4. Spin-orbit effects in structural and electronic properties for the solid state of the group-14 elements from carbon to superheavy element 114;Physical Review B;2010-10-08
5. Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets;The Journal of Chemical Physics;2010-04-07
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