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Electronic Structure cover

Electronic Structure

IF2.4
Papers63
Citations566
Journal Papers 59
Publication Date
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Perspective on Moreau–Yosida regularization in density-functional theory
deleteElectronic Structure
IF2.4
delete2026-04-08
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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
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
deleteElectronic Structure
IF2.4
delete2026-04-01
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PREAI
deleteFahhad H Alharbi
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Electronic structure and charge transition levels in oxygen deficient monoclinic zirconia
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
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 properties
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 doping
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
deleteElectronic Structure
IF2.4
delete2026-02-19
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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
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
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
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 study
deleteElectronic Structure
IF2.4
delete2026-01-19
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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}$FexO using HSE06 and GGA + U methods; a combined study
deleteElectronic Structure
IF2.4
delete2026-01-07
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PREAI
deleteKapil Sharma; Aleksandr Chernatynskiy
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Generalized SSH model with staggered field
deleteELECTRONIC STRUCTURE
IF2.4
delete2025-12-31
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PREAI
deleteKarnaukhov, Igor N.; Krasovskii, E. E.
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Role of electron–electron correlations and disorder in the metal-insulator transition of SrTi$ _{1-x}$VxO3 thin films
deleteElectronic Structure
IF2.4
delete2025-12-22
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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
deleteElectronic Structure
IF2.4
delete2025-11-24
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deleteIgor Ying Zhang; Rong Shi
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Line shapes in time- and angle-resolved photoemission spectroscopy explored by machine learning
deleteElectronic Structure
IF2.4
delete2025-11-20
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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
deleteElectronic Structure
IF2.4
delete2025-11-05
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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
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
deleteElectronic Structure
IF2.4
delete2025-09-25
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PREAI
deleteXue Quan; Alexander B Watson; Daniel Massatt
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