搜索页_+Electronic+local+functions

设为首页

收藏本站

网站地图 | English | 公务邮箱

About the library

Background
History
Leadership
Organization

Readers' Guide

Opening Hours
Collections
Help Via Email

Publications

Electronic Information Resources

外文资源

Wiley电子期刊(3)	ProQuest学位论文(25)	GSW全文库(2)	ACS电子期刊(108)
SpringerLink电子期刊(186)	NATURE电子期刊(8)	Elsevier电子期刊(424)

在“Elsevier电子期刊”中，命中：424条，耗时：0.0959543 秒

在所有数据库中总计命中：756条

1.Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal

作者：Mingshu Zhao^a ; Juncai Dong^b ; ^{dongjc@ihep.ac.cn} ; Dongliang Chen^b

关键词：Silicon doping ; Local lattice distortion ; Strain relaxation mechanism ; Charge localization ; DFT

刊名：Physica B: Condensed Matter

出版年：2017

2.Partition of unity finite element method for quantum mechanical materials calculations

作者：J.E. Pask^a ; ^{pask1@llnl.gov} ; N. Sukumar^b ; ^{pask1@llnl.gov}

关键词：Electronic structure calculations ; Density functional theory ; Kohn&ndash ; Sham equations ; Finite elements ; Partition of unity enrichment ; Adaptive quadrature

刊名：Extreme Mechanics Letters

出版年：2017

3.Synthesis, X-ray structure analysis, thermodynamic and electronic properties of 4-acetamido benzaldehyde using vibrational spectroscopy and DFT calculations

作者：N. Jeeva Jasmine^a ; C. Arunagiri^b ; A. Subashini^c ; ^{asubashini2k4@yahoo.co.in} ; N. Stanley^a ; P. Thomas Muthiah^a

关键词：FT-Raman ; FT-IR ; Fukui function ; 4ABA ; XRD ; Computational study

刊名：Journal of Molecular Structure

出版年：2017

4.EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions

作者：S. Poncé ; ^a ; ^{samuel.pon@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; E.R. Margine^b ; C. Verdi^a ; F. Giustino^a ; ^{feliciano.giustino@materials.ox.ac.uk" class="auth_mail" title="E-mail the corresponding author}

关键词：Electron&ndash ; phonon coupling ; Wannier functions ; Electronic transport ; Superconductivity

刊名：Computer Physics Communications

出版年：2016

5.Self-assembly gridding α-MoO₃ nanobelts for highly toxic H₂S gas sensors

作者：Lei Zhang^a ; ¹Author Vitae ; Zhongli Liu^b ; ¹Author Vitae ; Long Jin^aAuthor Vitae ; Binbin Zhang^aAuthor Vitae ; Haitao Zhang^aAuthor Vitae ; Minhao Zhu^aAuthor Vitae ; Weiqing Yang^a ; ^c ; ^{wqyang@swjtu.edu.cn" class="auth_mail" title="E-mail the corresponding author}Author Vitae

关键词：H2S gas sensor ; MoO3 ; Ab initio molecular dynamics ; Electronic local functions

刊名：Sensors & Actuators: B. Chemical

出版年：2016

6.woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement

作者：E. Assmann^a ; ^b ; ^{elias.assmann@tugraz.at" class="auth_mail" title="E-mail the corresponding author} ; P. Wissgott^a ; J. Kune&scaron ; ^c ; A. Toschi^a ; P. Blaha^d ; K. Held^a

关键词：Optical conductivity ; Adaptive algorithm ; Electronic structure ; Density functional theory ; Wannier functions ; Augmented plane waves

刊名：Computer Physics Communications

出版年：2016

7.On the Flora of Asynchronous Locally Non-monotonic Boolean Automata Networks

作者：Aurore Alcolei ^{aurore.alcolei@ens-lyon.fr" class="auth_mail" title="E-mail the corresponding author} ; Ké ; vin Perrot ^{kevin.perrot@lif.univ-mrs.fr" class="auth_mail" title="E-mail the corresponding author} ; Sylvain Sené ; ^{sylvain.sene@lif.univ-mrs.fr" class="auth_mail" title="E-mail the corresponding author}

关键词：Interaction networks ; Boolean automata networks ; non-monotonicity ; asynchronous dynamics ; behavioural equivalence

刊名：Electronic Notes in Theoretical Computer Science

出版年：2016

8.Heuristics for the General Multiple Non-linear Knapsack Problem

作者：Luca Mencarelli^a ; ¹ ; ^{mencarelli@lix.polytechnique.fr" class="auth_mail" title="E-mail the corresponding author} ; Claudia D'Ambrosio^a ; ^{dambrosio@lix.polytechnique.fr" class="auth_mail" title="E-mail the corresponding author} ; Angelo Di Zio^b ; ^{angelo.dizio@ferrari.com" class="auth_mail" title="E-mail the corresponding author} ; Silvano Martello^c ; ^{silvano.martello@unibo.it" class="auth_mail" title="E-mail the corresponding author}

关键词：Multiple non-linear knapsack problem ; Heuristic algorithm ; Local search ; Mixed-integer non-linear programming

刊名：Electronic Notes in Discrete Mathematics

出版年：2016

9.Nonadiabatic dynamics in the semiclassical Liouville representation: Locality, transformation theory, and the energy budget

作者：Craig C. Martens ^{cmartens@uci.edu}

刊名：Chemical Physics

出版年：2016

10.Theoretical investigation of surface states and energetics of PtSi surfaces

作者：Manish K. Niranjan ; ^{manish@iith.ac.in" class="auth_mail" title="E-mail the corresponding author}

关键词：Silicide ; Surface electronic structure ; Surface energies ; Work functions ; Ab initio calculations

刊名：Surface Science

出版年：2016

按检索点细分(424)

题名(6)

关键词(4)

文摘(306)

按出版年细分(424)

2027年及以后(13)

2017年(3)

2016年(17)

2015年(2)

2014年(1)

2013年(32)

2012年(28)

2011年(17)

2010年(28)

2009年(20)

2008年(23)

2007年(31)

2006年(22)

2005年(22)

2004年(14)

2003年(18)

2002年(14)

2001年(31)

2000年(12)

2000年及以前(76)