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Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…

Quantum Physics · Physics 2025-03-05 Maicol A. Ochoa , Keyi Liu , Piotr Różański , Michał Zieliński , Garnett W. Bryant

Measurement of a charge qubit via point contacts with complex internal structures is considered. In this context, a fully formalized derivation of the many-body wave function method is presented, together with the corresponding master…

Mesoscale and Nanoscale Physics · Physics 2025-10-13 George Stavisskii , Leonid Fedichkin

We calculate the orbital magnetization of single and double quantum dots coupled both by Coulomb interaction and by electron tunneling. The electronic states of the quantum dots are calculated in a tight-binding model and the magnetization…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 A. Aldea , V. Moldoveanu , M. Nita , A. Manolescu , V. Gudmundsson , B. Tanatar

We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of…

Condensed Matter · Physics 2009-10-31 Paula Sanchez-Friera , R. W. Godby

We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…

Strongly Correlated Electrons · Physics 2014-07-01 Y. X. Yao , J. Liu , C. Liu , W. C. Lu , C. Z. Wang , K. M. Ho

This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…

Chemical Physics · Physics 2024-09-04 James C. Ellenbogen

A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…

Materials Science · Physics 2016-09-16 R. Benchamekh , F. Raouafi , J. Even , F. Ben Cheikh Larbi , P. Voisin , J. -M. Jancu

We report on a multiband microscopic theory of many-exciton complexes in self-assembled quantum dots. The single particle states are obtained by three methods: single-band effective-mass approximation, the multiband $k\cdot p$ method, and…

Materials Science · Physics 2009-11-10 Weidong Sheng , Shun-Jen Cheng , Pawel Hawrylak

We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…

Condensed Matter · Physics 2009-10-22 Francesco Mauri , Giulia Galli

Generalized electrostatic quantum swap gate implemented in the chain of 2 double coupled quantum dots using single electron in semiconductor is presented in tight-binding simplistic model specifying both analytic and numerical results. The…

Quantum Physics · Physics 2020-01-29 Krzysztof Pomorski

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…

Chemical Physics · Physics 2023-04-07 Róbert Izsák , Aleksei V Ivanov , Nick S. Blunt , Nicole Holzmann , Frank Neese

We discuss the quantum dot-ring nanostructure (DRN) as canonical example of a nanosystem, for which the~interelectronic interactions can be evaluated exactly. The system has been selected due to its tunability, i.e., its electron wave…

Mesoscale and Nanoscale Physics · Physics 2016-10-10 Andrzej Biborski , Andrzej P. Kądzielawa , Anna Gorczyca-Goraj , Elżbieta Zipper , Maciej M. Maśka , Józef Spałek

We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical $s p^{3} s^{*}$ tight-binding (ETB) model with interactions up to 2nd nearest neighbors and spin-orbit…

Materials Science · Physics 2009-11-10 R. Santoprete , Belita Koiller , R. B. Capaz , P. Kratzer , Q. K. K. Liu , M. Scheffler

We study a system of interacting electrons on a one-dimensional quantum ring using exact diagonalization and the variational quantum Monte Carlo method. We examine the accuracy of the Slater-Jastrow -type many-body wave function and compare…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 S. S. Gylfadottir , A. Harju , T. Jouttenus , C. Webb

We developed a set of equations to calculate the electronic Green's functions in a T-shaped multi-quantum dot system using the equation of motion method. We model the system using a generalized Anderson Hamiltonian which accounts for {\em…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 I. Tifrea , G. Pal , M. Crisan

Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…

Quantum Physics · Physics 2012-12-18 Katharina Boguslawski , Paweł Tecmer , Örs Legeza , Markus Reiher

With the eigenfunctional theory, we study a general interacting electron system, and give a rigorous expression of its ground state energy which is composed of two parts, one part is contributed by the non-interacting electrons, and another…

Materials Science · Physics 2007-12-07 Yu-Liang Liu

A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…

Chemical Physics · Physics 2024-05-03 Alexander V. Mironenko

In this letter, we have considered an electron in a coupled quantum dot system interacting with a detector represented by a point contact. We present a dynamical model for wave function collapse in the strong coupling to the detector limit.…

Mesoscale and Nanoscale Physics · Physics 2017-11-23 H. Cruz

The low-lying eigenstates of a system of two electrons confined within a two-dimensional quantum dot with a hard polygonal boundary are obtained by means of exact diagonalization. The transition from a weakly correlated charge distribution…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 C E Creffield , Wolfgang Haeusler , J H Jefferson , Sarben Sarkar
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