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Electronic Structure 封面图

Electronic Structure

IF2.4
论文数59
被引数566
期刊论文 59
发表时间
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Perspective on Moreau–Yosida regularization in density-functional theoryMoreau–Yosida正则化在密度泛函理论中的视角
deleteElectronic Structure
IF2.4
delete2026-04-08
delete0
deleteOAAI
deleteMarkus Penz; Michael F Herbst; Trygve Helgaker; Andre Laestadius
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Energetics; structural magic numbers; and vibrational modes of small carbon clusters Cn (n = 3–8): a comparative study of different ab initio methods and basis sets能量学；结构幻数；以及小碳团簇Cn (n=3–8)的振动模式：不同从头算方法和基组比较研究
deleteElectronic Structure
IF2.4
delete2026-04-02
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PREAI
deleteAngelo A Redoblado; Darwin B Putungan
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Kinetic energy density functional: advances; challenges; and future directions动能密度泛函：进展；挑战；及未来方向
deleteElectronic Structure
IF2.4
delete2026-04-01
delete0
PREAI
deleteFahhad H Alharbi
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Electronic structure and charge transition levels in oxygen deficient monoclinic zirconia氧缺陷单斜氧化锆的电子结构和电荷跃迁能级
deleteElectronic Structure
IF2.4
delete2026-03-30
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PREAI
deleteSanat Kumar Gogoi; Manish Jain
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Defect-induced spin-split localized states with strong out-of-plane spin polarization in monolayer 1H-WSe2: DFT and $k \cdot p$ analysis缺陷诱导的具有强垂直于平面自旋极化的自旋劈裂局域态：1H-WSe2单层的DFT和$k \cdot p$分析
deleteElectronic Structure
IF2.4
delete2026-03-11
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PREAI
deleteMuhammad Oktavian Dharma Setyawan; Arif Lukmantoro; Moh Adhib Ulil Absor
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Comprehensive characterization of Ag7PS6 crystal: structural; electronic; and mechanical propertiesAg7PS6晶体的综合表征：结构、电子和力学性能
deleteElectronic Structure
IF2.4
delete2026-03-06
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PREAI
deleteT Babuka; A I Pogodin; M M Pop; M J Filep; T O Malakhovska
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Electronic structure and defect chemistry of N-doped κ-Ga2O3: challenges toward P-type dopingN掺杂κ-Ga₂O₃的电子结构与缺陷化学：p型掺杂的挑战
deleteElectronic Structure
IF2.4
delete2026-02-26
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PREAI
deleteWenyong Feng; Dayu Xiao; Paiwen Fang; Yiming Zhang; Houjian Lin; Zedong Lin; Jun Liang; Yanli Pei
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A state-specific iterative decoupling scheme based on perturbation theory for low-energy electronic states基于微扰理论的一种适用于低能量电子态的状态特定迭代解耦方案
deleteElectronic Structure
IF2.4
delete2026-02-19
delete0
PREAI
deleteOussama Bindech; Saad Yalouz; Vincent Robert
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2D materials beyond MXenes: recent progress; exotic properties; and future perspectives of alkaline earth metal based structures and their isoelectronic analogues二维材料超越MXenes：最新进展；奇特性质；以及碱土金属基结构和它们的等电子类似物的未来展望
deleteElectronic Structure
IF2.4
delete2026-02-12
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PREAI
deleteKrishnanshu Basak; Subhadip Nath; Niladri Sekhar Mondal; Pabitra Mandal; Debnarayan Jana
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An innovative linear-scaling method: integrating divide-and-conquer with fragment molecular approach via nonorthogonal localized orbitals for large systems一种创新性的线性标度方法：通过非正交定域轨道整合分治法与片段分子方法，用于大系统
deleteElectronic Structure
IF2.4
delete2026-02-05
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PREAI
deleteJinYong Lin; Liang Peng; Daoling Peng; Feng Long Gu
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Electrode-dependent spin and thermoelectric transport in M@C80 (M=Fe; Co; Ni) molecular junctions电极依赖的自旋与热电输运在M@C80 (M=Fe; Co; Ni) 分子结中
deleteElectronic Structure
IF2.4
delete2026-02-04
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PREAI
deleteAlaa A Al-Jobory; Sameer Nawaf; Anhar A Ouda; Ali Ismael
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The origin of metallic conductivity in Pt3O4: a first principles studyPt3O4中金属电导率的起源: 第一性原理研究
deleteElectronic Structure
IF2.4
delete2026-01-19
delete0
deleteOAAI
deleteAkhil R Peeketi; Lavie Rekhi; Alexander R Muñoz; Rahul Jayan; Edward F Holby; Blas P Uberuaga; Travis E Jones
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First-principles study on pressure induced structural and electronic properties of Mg$ _{1-x}$FexO using HSE06 and GGA + U methods; a combined study
deleteElectronic Structure
IF2.4
delete2026-01-07
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PREAI
deleteKapil Sharma; Aleksandr Chernatynskiy
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Generalized SSH model with staggered field具有交错场的广义SSH模型
deleteELECTRONIC STRUCTURE
IF2.4
delete2025-12-31
delete0
PREAI
deleteKarnaukhov, Igor N.; Krasovskii, E. E.
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Role of electron–electron correlations and disorder in the metal-insulator transition of SrTi$ _{1-x}$VxO3 thin films电子-电子关联和 disorder 在 SrTi$_{1-x}$V$_x$O$_3$ 薄膜的金属-绝缘体转变中的作用
deleteElectronic Structure
IF2.4
delete2025-12-22
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deleteOAAI
deleteJ Laverock; A D N James; M Gu; J W Lu; K E Smith
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Introduction to the fifth-rung density functional approximations: concept; formulation; and applications第五阶密度泛函近似的引论：概念；公式；及应用
deleteElectronic Structure
IF2.4
delete2025-11-24
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deleteOAAI
deleteIgor Ying Zhang; Rong Shi
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Line shapes in time- and angle-resolved photoemission spectroscopy explored by machine learning机器学习方法探索时间-角分辨光电子能谱中的线形
deleteElectronic Structure
IF2.4
delete2025-11-20
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deleteOAAI
deleteTami C Meyer; Gesa-R Siemann; Paulina Majchrzak; Thomas Seyller; Jennifer Rigden; Yu Zhang; Emma Springate; Charlotte Sanders; Philip Hofmann
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Optimization of ab-initio based tight-binding models基于第一性原理的紧束缚模型的优化
deleteElectronic Structure
IF2.4
delete2025-11-05
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deleteOAAI
deleteHenrik Dick; Thomas Dahm
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High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation高性能析氧反应的高熵电催化剂：原子尺度电子结构调控的视角
deleteElectronic Structure
IF2.4
delete2025-10-31
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PREAI
deleteXiaoliang Zhang; Cong Li; Weibing Wu; Weiwei Li
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Construction and accuracy of electronic continuum models of incommensurate bilayer 2D materials非公度双层二维材料的电子连续体模型的构建与精度
deleteElectronic Structure
IF2.4
delete2025-09-25
delete0
PREAI
deleteXue Quan; Alexander B Watson; Daniel Massatt
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