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Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. In contrast to most embedding methods, DMET explicitly allows for quantum entanglement between both. In this chapter, we discuss…

Strongly Correlated Electrons · Physics 2018-02-19 Sebastian Wouters , Carlos A. Jiménez-Hoyos , Garnet K. -L. Chan

In this paper we discuss the properties of the reduced density matrix of quantum many body systems with permutational symmetry and present basic quantification of the entanglement in terms of the von Neumann (VNE), Renyi and Tsallis…

Statistical Mechanics · Physics 2015-06-03 V. Popkov , Mario Salerno

The electron energy and density matrices in molecular systems are convex in respect of the number of particles. So that, the chemical descriptors based on their derivatives present the hamper of discontinuities for isolated systems and…

Chemical Physics · Physics 2015-06-10 Roberto C. Bochicchio

Some new identities for quantum variance and covariance involving commutators are presented, in which the density matrix and the operators are treated symmetrically. A measure of entanglement is proposed for bipartite systems, based on…

Quantum Physics · Physics 2009-11-06 R I A Davis , R Delbourgo , P D Jarvis

Entanglement is the key resource for quantum technologies and is at the root of exciting many-body phenomena. However, quantifying the entanglement between two parts of a real-world quantum system is challenging when it interacts with its…

Quantum Physics · Physics 2023-03-22 Christian Carisch , Oded Zilberberg

Reconstructing quantum states is an important task for various emerging quantum technologies. The process of reconstructing the density matrix of a quantum state is known as quantum state tomography. Conventionally, tomography of arbitrary…

Quantum Physics · Physics 2020-08-17 Sanjib Ghosh , Andrzej Opala , Michał Matuszewski , Tomasz Paterek , Timothy C. H. Liew

In a quantum system, there may be many density matrices associated with a state on an algebra of observables. For each density matrix, one can compute its entropy. These are in general different. Therefore one reaches the remarkable…

High Energy Physics - Theory · Physics 2013-08-09 A. P. Balachandran , Amilcar R. de Queiroz , S. Vaidya

In this paper, the one-dimensional incommensurate quantum Frenkel-Kontorova model is investigate by a density-matrix renormalization group algorithm. Special attention is given to the entanglement and the ground state energy. The energy gap…

Statistical Mechanics · Physics 2015-06-19 Yongjun Ma , Jiaxiang Wang , Xinye Xu , Qi Wei , Sabre Kais

Quantum molecular dynamics is applied to study the ground state properties of nuclear matter at subsaturation densities. Clustering effects are observed as to soften the equation of state at these densities. The structure of nuclear matter…

The quantum-mechanical consideration of a passage of fast dimesoatoms through matter is given. A set of quantum-kinetic equations for the density matrix elements describing their internal state evolution is derived. It is shown that…

High Energy Physics - Phenomenology · Physics 2009-11-10 O Voskresenskaya

The equivalence in one-electron quantum bath between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in…

Chemical Physics · Physics 2023-07-24 Sajanthan Sekaran , Oussama Bindech , Emmanuel Fromager

We introduce a density tensor hierarchy for open system dynamics, that recovers information about fluctuations lost in passing to the reduced density matrix. For the case of fluctuations arising from a classical probability distribution,…

Quantum Physics · Physics 2008-11-26 Stephen L. Adler

We illustrate through numerical results a number of features of environment-induced decoherence under a broad class of apparatus-environment interactions in quantum measurements wherein the reduced system-apparatus density matrix evolves…

Quantum Physics · Physics 2007-06-13 Avijit Lahiri

This paper studies quantum systems with a finite number of degrees of freedom in the context of non-extensive thermodynamics. A trial density matrix, obtained by heuristic methods, is proved to be the equilibrium density matrix. If the…

Mathematical Physics · Physics 2009-10-31 Jan Naudts

In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…

Chemical Physics · Physics 2022-11-09 Margaret Gregory , Simon Neville , Michael Schuurman , Varun Makhija

Machine learning is actively being explored for its potential to design, validate, and even hybridize with near-term quantum devices. A central question is whether neural networks can provide a tractable representation of a given quantum…

Quantum Physics · Physics 2018-06-19 Giacomo Torlai , Roger G. Melko

One of the crucial differences between mathematical models of classical and quantum mechanics is the use of the tensor product of the state spaces of subsystems as the state space of the corresponding composite system. (To describe an…

General Physics · Physics 2010-08-03 Andrei Khrennikov

Indeterminacy associated with probing of a quantum state is commonly expressed through spectral distances (metric) featured in the outcomes of repeated experiments. Here we express it as an effective amount (measure) of distinct outcomes…

Quantum Physics · Physics 2021-09-21 Ivan Horváth

Identical particles and entanglement are both fundamental components of quantum mechanics. However, when identical particles are condensed in a single spatial mode, the standard notions of entanglement, based on clearly identifiable…

Quantum Physics · Physics 2014-04-23 N. Killoran , M. Cramer , M. B. Plenio

Ever since entanglement was identified as a computational and cryptographic resource, researchers have sought efficient ways to tell whether a given density matrix represents an unentangled, or separable, state. This paper gives the first…

Quantum Physics · Physics 2007-05-23 Lawrence M. Ioannou