A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://stacks.iop.org/0953-8984/19/i=22/a=226001/pdf
Reference63 articles.
1. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry
2. Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional
3. Density Functionals for Inorganometallic and Organometallic Chemistry
4. Local-MP2 electron correlation method for nonconducting crystals
5. Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids
Cited by 21 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. A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model;Journal of Chemical Theory and Computation;2023-07-03
2. Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by Constrained Complete Active Space Theory;The Journal of Physical Chemistry Letters;2023-06-13
3. Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions;Journal of Chemical Theory and Computation;2022-10-12
4. Orthogonality of embedded wave functions for different states in frozen-density embedding theory;The Journal of Chemical Physics;2015-10-28
5. Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure;Chemical Reviews;2015-04-29
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