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Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can…

Mesoscale and Nanoscale Physics · Physics 2021-01-15 T. R. Durrant , M. J. P. Hodgson , J. D. Ramsden , R. W. Godby

The electron localization function (ELF) is a universal measure of electron localization that allows for, e.g., an effective characterization of physical bonds in molecular and solid state systems. In the context of the widely used…

Strongly Correlated Electrons · Physics 2019-08-20 Alexander Lindmaa , Joel Davidsson , Ann E. Mattsson , Rickard Armiento

The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…

Strongly Correlated Electrons · Physics 2008-05-08 E. Rasanen , A. Castro , E. K. U. Gross

Understanding of bonding is key to modelling materials and predicting properties thereof. A widely adopted indicator of bonds and atomic shells is the electron localization function (ELF). The building blocks of the ELF are also used in the…

The Electron Localization Function (ELF) by Becke and Edgecombe [J. Chem. Phys. {\bf 92}, 5397 (1990)] is routinely adopted as a descriptor of atomic shells and covalent bonds. Since the ELF and its related quantities find useful…

Materials Science · Physics 2018-08-29 Stefano Pittalis , Daniele Varsano , Alain Delgado , Carlo Andrea Rozzi

The localization of two interacting electrons in a coupled-quantum-dots semiconductor structure is demonstrated through numerical calculations of the time evolution of the two-electron wave function including the Coulomb interaction between…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 P. I. Tamborenea , H. Metiu

The Electron Localization Function (ELF) -- as proposed originally by Becke and Edgecombe -- has been widely adopted as a descriptor of atomic shells and covalent bonds. The ELF takes into account the antisymmetry of Fermions but it…

Materials Science · Physics 2015-09-15 Stefano Pittalis , Alain Delgado , Carlo Andrea Rozzi

In this article we present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and…

Chemical Physics · Physics 2007-05-23 Tobias Burnus , Miguel A. L. Marques , Eberhard K. U. Gross

We study electron localization in disordered quantum systems, focusing on both individual eigenstates and thermal states. We employ complex polarization as a numerical indicator to characterize the system's localization length. Furthermore,…

Disordered Systems and Neural Networks · Physics 2024-04-30 Chong Sun

The location of electrons governs phenomena ranging from chemical bonding and electric polarization to the topological classification of band insulators and the emergence of correlated states in quantum matter. While a prescription exists…

Materials Science · Physics 2026-03-31 Haylen Gerhard , Yifan Wang , Alexander Cerjan , Wladimir A. Benalcazar

We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…

Materials Science · Physics 2009-10-31 L. De Santis , R. Resta

The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…

Human-Computer Interaction · Computer Science 2021-06-03 Talha Bin Masood , Signe Sidwall Thygesen , Mathieu Linares , Alexei I. Abrikosov , Vijay Natarajan , Ingrid Hotz

Analysis of quantum dot structures is a current topic with important applications in solid-state digital logic design, quantum information technology and quantum optics. In this work, we show a variational formulation for the solution of…

Quantum Physics · Physics 2007-05-23 George Andre Pereira The , Rubens Viana Ramos , Sergio Antenor de Carvalho

Spatial localization of the electrons of an atom or molecule is studied in models of non-relativistic matter coupled to quantized radiation. We give two definitions of the ionization threshold. One in terms of spectral data of cluster…

Mathematical Physics · Physics 2007-05-23 Marcel Griesemer

Partial electron localization in a finite-size superlattice placed in an electric field is considered. The role of electric field in forming of quasilocalized states is investigated. A quantitative criterion for the degree of partial…

Mesoscale and Nanoscale Physics · Physics 2018-05-23 K. R. Vlasov , M. A. Pyataev , A. V. Shorokhov

In quantum communications, quantum states are employed for the transmission of information between remote parties. This usually requires sharing knowledge of the measurement bases through a classical public channel in the sifting phase of…

Quantum Physics · Physics 2019-11-01 Raffaele Santagati , Alasdair B. Price , John G. Rarity , Marco Leonetti

The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization phenomenon requires careful treatment of the many-body…

Computational Physics · Physics 2023-06-28 Xue Quan , Huajie Chen

Engineering and studying few-electron states in ballistic conductors is a key step towards understanding entanglement in quantum electronic systems. In this Letter, we introduce the intrinsic two-electron coherence of an electronic source…

Mesoscale and Nanoscale Physics · Physics 2016-02-17 E. Thibierge , D. Ferraro , B. Roussel , C. Cabart , A. Marguerite , G. Fève , P. Degiovanni

We develop a machine-learning framework to predict the electron localization function (ELF) of pure, dense hydrogen directly from atomic geometry, bypassing explicit electronic-structure calculations. Trained on first-principles data…

Single-electron capacitance spectroscopy precisely measures the energies required to add individual electrons to a quantum dot. The spatial extent of electronic wavefunctions is probed by investigating the dependence of these energies on…

Mesoscale and Nanoscale Physics · Physics 2010-03-11 N. B. Zhitenev , M. Brodsky , R. C. Ashoori , L. N. Pfeiffer , K. W. West
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