Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting

Published:2014-04-23 Issue:5 Volume:10 Page:1994-2004
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Franchini Mirko¹²,Philipsen Pierre Herman Theodoor²,van Lenthe Erik²,Visscher Lucas¹

Affiliation:

1. Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands

2. Scientific Computing & Modelling NV, Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500172n

Reference47 articles.

1. Auxiliary basis sets to approximate Coulomb potentials

2. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

3. Kantorovich, L.Quantum Theory of the Solid State: An Introduction;Kluwer Academic Publishers:Dordrecht, The Netherlands, 2004; pp88–99.

4. Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

5. The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis

Cited by 132 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. “Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors;Journal of the American Chemical Society;2024-09-03

2. Interfacial adsorption and catalysis of single-atom Pt-loaded ZrO2 surfaces for enhancing formaldehyde oxidation;Surfaces and Interfaces;2024-09

3. Nonlocal machine-learned exchange functional for molecules and solids;Physical Review B;2024-08-15

4. Calculating Molecular Polarizabilities Using Exact Frozen Density Embedding with External Orthogonality;Journal of Chemical Theory and Computation;2024-08-06

5. Chalcogen Noncovalent Interactions between Diazines and Sulfur Oxides in Supramolecular Circular Chains;International Journal of Molecular Sciences;2024-07-08

同舟云学术

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