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We use a variational Monte Carlo algorithm to solve the electronic structure of two-dimensional semiconductor quantum dots in external magnetic field. We present accurate many-body wave functions for the system in various magnetic field…

介观与纳米尺度物理 · 物理学 2009-11-11 Ari Harju

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…

介观与纳米尺度物理 · 物理学 2009-10-31 C E Creffield , Wolfgang Haeusler , J H Jefferson , Sarben Sarkar

We present a recently developed projector quantum Monte Carlo method for calculations of electronic structure in systems with spin-orbit interactions. The method solves for many-body eigenstates in the presence of spin-orbit using the…

化学物理 · 物理学 2017-08-09 Cody A. Melton , M. Chandler Bennett , Lubos Mitas

The exact diagonalization technique is used to study many-particle properties of interacting electrons with spin, confined in a two-dimensional harmonic potential. The single-particle basis is limited to the lowest Landau level. The results…

介观与纳米尺度物理 · 物理学 2009-11-11 M. Koskinen , S. M. Reimann , J. -P. Nikkarila , M. Manninen

Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…

凝聚态物理 · 物理学 2009-10-30 Chien-Jung Huang , C. J. Umrigar , M. P. Nightingale

State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schr\"odinger equation. By far the most common property used to assess accuracy has been the total…

化学物理 · 物理学 2022-11-30 Shunyue Yuan , Yueqing Chang , Lucas K. Wagner

We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…

介观与纳米尺度物理 · 物理学 2012-10-11 Olafur Jonasson , Chi-Shung Tang , Hsi-Sheng Goan , Andrei Manolescu , Vidar Gudmundsson

We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the dependence can be significant, in particular in the case of 3d…

材料科学 · 物理学 2010-09-09 Jindrich Kolorenc , Shuming Hu , Lubos Mitas

At present, there are many methods of quantum entanglement of particles with an electromagnetic field. Most methods have a low probability of quantum entanglement and not an exact theoretical apparatus based on an approximate solution of…

量子物理 · 物理学 2017-09-15 Dmitry Makarov

We investigate in a simple model whether a Jastrow-based approach for a many-body system containing two-body interactions can be exact. By comparison with recent assertions to the contrary, we find that in general the exact wave function is…

化学物理 · 物理学 2007-05-23 Niels R. Walet , R. F. Bishop

A novel approach to electronic correlations in magnetic crystals which takes into account a dynamical many-body effects is present. In order to to find a frequency dependence of the electron self energy, an effective quantum-impurity…

强关联电子 · 物理学 2007-05-23 A. I. Lichtenstein , M. I. Katsnelson

A one-dimensional model of electrons locally coupled to spin-1/2 degrees of freedom is studied by numerical techniques. The model is one in the class of $dynamic$ $Hubbard$ $models$ that describe the relaxation of an atomic orbital upon…

强关联电子 · 物理学 2009-11-07 J. E. Hirsch

The quantum dynamics of an ensemble of interacting electrons in an array of random scatterers is treated using a new numerical approach for the calculation of average values of quantum operators and time correlation functions in the Wigner…

无序系统与神经网络 · 物理学 2009-11-07 V. Filinov , P. Thomas , I. Varga , T. Meier , M. Bonitz , V. Fortov , S. W. Koch

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…

介观与纳米尺度物理 · 物理学 2015-06-04 Erik Nielsen , Rajib Rahman , Richard P. Muller

The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…

材料科学 · 物理学 2011-01-14 N. Helbig , S. Kurth , S. Pittalis , E. Räsänen , E. K. U. Gross

Energy spectra of quasi-one-dimensional quantum rings with a few electrons are studied using several different theoretical methods. Discrete Hubbard models and continuum models are shown to give similar results governed by the special…

介观与纳米尺度物理 · 物理学 2007-05-23 M. Manninen , P. Koskinen , M. Koskinen , P. Singha Deo , S. M. Reimann , S. Viefers

We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…

化学物理 · 物理学 2023-03-30 Matej Ditte , Matteo Barborini , Leonardo Medrano Sandonas , Alexandre Tkatchenko

The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…

凝聚态物理 · 物理学 2009-10-22 Wolfgang Haeusler , Bernhard Kramer , PTB Braunschweig

In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In…

强关联电子 · 物理学 2015-05-30 Lorenzo Stella , Claudio Attaccalite , Sandro Sorella , Angel Rubio

It has been well established that the Jastrow correlation factor can effectively capture the electron correlation effects, and thus, the efficient optimization of the many-body wave function including the Jastrow correlation factor is of…

原子物理 · 物理学 2023-09-12 Masayuki Ochi
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