勘误：使用ONETEP进行精确高效的O(N)密度泛函计算（2005年《物理学杂志：凝聚态物质》17卷5757页）

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757).

作者信息

Skylaris Chris-Kriton, Haynes Peter, Mostofi Arash A, Payne Mike

机构信息

School of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, Southampton, SO17 1BJ, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.

Department of Materials, Imperial College London, Exhibition Road, London, SW7 2AZ, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.

出版信息

J Phys Condens Matter. 2020 Mar 18. doi: 10.1088/1361-648X/ab80f5.

DOI:10.1088/1361-648X/ab80f5

PMID:32187592

Abstract

N/A.

摘要

无可用信息。

相似文献

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757).

J Phys Condens Matter. 2020 Mar 18. doi: 10.1088/1361-648X/ab80f5.

Corrigendum: Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code (2008064209).

J Phys Condens Matter. 2020 May 15;32(32). doi: 10.1088/1361-648X/ab80f6.

Corrigendum: Density kernel optimization in the ONETEP code (2008294207).

J Phys Condens Matter. 2020 May 5;32(30). doi: 10.1088/1361-648X/ab80f7.

The ONETEP linear-scaling density functional theory program.

J Chem Phys. 2020 May 7;152(17):174111. doi: 10.1063/5.0004445.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

J Chem Phys. 2016 Nov 28;145(20):204114. doi: 10.1063/1.4967960.

First-Principles Study on the Effect of Lithiation in Spinel LiMnO (0 ≤ x ≤ 1) Structure: Calibration of CASTEP and ONETEP Simulation Codes.

Materials (Basel). 2022 Aug 18;15(16):5678. doi: 10.3390/ma15165678.

Introducing ONETEP: linear-scaling density functional simulations on parallel computers.

J Chem Phys. 2005 Feb 22;122(8):84119. doi: 10.1063/1.1839852.

Electronic annealing Fermi operator expansion for DFT calculations on metallic systems.

J Chem Phys. 2018 Feb 21;148(7):074107. doi: 10.1063/1.5001340.

Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

J Chem Theory Comput. 2016 Jul 12;12(7):3135-48. doi: 10.1021/acs.jctc.6b00272. Epub 2016 Jun 16.

Large-scale first principles and tight-binding density functional theory calculations on hydrogen-passivated silicon nanorods.

J Phys Condens Matter. 2010 Jan 20;22(2):025303. doi: 10.1088/0953-8984/22/2/025303. Epub 2009 Dec 10.

引用本文的文献

Efficiently Computing Excitations of Complex Systems: Linear-Scaling Time-Dependent Embedded Mean-Field Theory in Implicit Solvent.

J Chem Theory Comput. 2022 Mar 8;18(3):1542-1554. doi: 10.1021/acs.jctc.1c01133. Epub 2022 Feb 8.

Forces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets.

J Chem Theory Comput. 2022 Mar 8;18(3):1458-1466. doi: 10.1021/acs.jctc.1c00794. Epub 2022 Jan 31.

Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations.

PLoS Comput Biol. 2013;9(12):e1003360. doi: 10.1371/journal.pcbi.1003360. Epub 2013 Dec 5.

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型，支持多种主流文档格式。

立即体验

勘误：使用ONETEP进行精确高效的O(N)密度泛函计算（2005年《物理学杂志：凝聚态物质》17卷5757页）

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757).

作者信息

机构信息

出版信息

相似文献

引用本文的文献

文献AI研究员

用中文搜PubMed

文档翻译

Suppr 超能文献

勘误：使用ONETEP进行精确高效的O(N)密度泛函计算（2005年《物理学杂志：凝聚态物质》17卷5757页）

Corrigendum: Using ONETEP for accurate and efficient O(N) density functional calculations (2005 J. Phys.: Condens. Matter 17 5757).

作者信息

机构信息

出版信息

相似文献

引用本文的文献