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Related papers: Spin-free orbital entropy, mutual information, and…

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Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital participates in the electron correlation and…

Chemical Physics · Physics 2026-05-26 Jiri Pittner

We calculate the entanglement entropy of strongly correlated low-dimensional fermions in metallic, superfluid and antiferromagnetic insulating phases. The entanglement entropy reflects the degrees of freedom available in each phase for…

Strongly Correlated Electrons · Physics 2009-11-11 V. V. França , K. Capelle

Quantum-chemical multi-configurational methods are required for a proper description of static electron correlation, a phenomenon inherent to the electronic structure of molecules with multiple (near-)degenerate frontier orbitals. Here, we…

Chemical Physics · Physics 2017-04-21 Christopher J. Stein , Markus Reiher

Focusing on the efficient probe and manipulation of single-particle spin states, we investigate the coupled spin and orbital dynamics of a spin 1/2 particle in a harmonic potential subject to ultrastrong spin-orbit interaction and external…

Mesoscale and Nanoscale Physics · Physics 2014-01-21 C. Echeverria-Arrondo , E. Ya. Sherman

Spin-orbital entanglement in quantum spin-orbital systems is quantified by a reduced von Neumann entropy, and is calculated for the ground state of a coupled spin-orbital chain with $SU(2)\times SU(2)$ symmetry. By analyzing the…

Strongly Correlated Electrons · Physics 2009-11-11 Yan Chen , Z. D. Wang , Y. Q. Li , F. C. Zhang

We discuss phenomena arising from the combined influence of electron correlation and spin-orbit coupling, with an emphasis on emergent quantum phases and transitions in heavy transition metal compounds with 4d and 5d elements. A common…

Strongly Correlated Electrons · Physics 2014-03-14 William Witczak-Krempa , Gang Chen , Yong Baek Kim , Leon Balents

The spin-orbital entanglement in $5d^1$ transition metal ions embedded in double perovskites, where anomalous effective magnetic dipole moments are frequently observed, is quantified by the spin-orbital von Neumann entropy $\Delta S_{\rm…

Chemical Physics · Physics 2025-11-25 V. García-Rojas , J. F. Pérez-Torres

We study quantum correlations and complexity of simulation, characterized by quantum mutual information and entanglement entropy in operator space respectively, for thermal states in critical, non-critical and quantum chaotic spin chains. A…

Quantum Physics · Physics 2008-08-12 Marko Znidaric , Tomaz Prosen , Iztok Pizorn

We consider a chain of spin-half particles of a finite length, evolved with the mixed-field Ising Hamiltonian and impose open boundary condition. We simulate the time evolution of entanglement entropy and mutual information following quench…

Statistical Mechanics · Physics 2024-02-22 Surbhi Khetrapal , Emil Tore Mærsk Pedersen

We numerically evaluate, for slab entangling geometries, the mutual information and the holographic entanglement entropy between strongly interacting fields in different spatial regions for two different conformal holographic models at…

High Energy Physics - Theory · Physics 2025-09-18 Gustavo de Oliveira , Ronaldo F. Costa , Lucas C. Celeri , Romulo Rougemont

This thesis uses a quantity that is defined and justified by information theory -- mutual information -- to examine models of condensed matter systems. More precisely, it studies models which are made up out of ferromagnetically interacting…

Quantum Physics · Physics 2013-03-19 Johannes Wilms

Spin and orbital angular momenta are two intrinsic properties of an electron and are responsible for the physics of a solid. How the spin and orbital evolve with respect to each other on several hundred femtoseconds is largely unknown, but…

Materials Science · Physics 2021-06-25 G. P. Zhang , Mingqiang Gu , Y. H. Bai , T. L. Jenkins , Thomas F. George

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

We present the entanglement properties of the spin-orbital coupling systems with multiple degrees of freedom. After constructing the maximally entangled spin-orbital basis of bipartite, we find that the quantum entanglement length in the…

Strongly Correlated Electrons · Physics 2007-05-23 Dong-Meng Chen , Wei-Hua Wang , Liang-Jian Zou

The concept of quantum memory plays an incisive role in the quantum information theory. As confirmed by several recent rigorous mathematical studies, the quantum memory inmate in the bipartite system $\rho_{AB}$ can reduce uncertainty about…

Quantum Physics · Physics 2019-11-14 L. Chotorlishvili , A. Gudyma , J. Wätzel , A. Ernst , J. Berakdar

The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is discussed in terms of reduced $n$-particle density matrices.…

Chemical Physics · Physics 2016-10-05 Katharina Boguslawski , Paweł Tecmer

Recent studies identified spin-order-driven phenomena such as spin-charge interconversion without relying on the relativistic spin-orbit interaction. Those physical properties can be prominent in systems containing light magnetic atoms due…

Materials Science · Physics 2024-04-01 Hikaru Watanabe , Kohei Shinohara , Takuya Nomoto , Atsushi Togo , Ryotaro Arita

The concept of the entanglement between spin and orbital degrees of freedom plays a crucial role in understanding various phases and exotic ground states in a broad class of materials, including orbitally ordered materials and spin liquids.…

Strongly Correlated Electrons · Physics 2020-03-25 Dorota Gotfryd , Ekaterina M. Paerschke , Jiri Chaloupka , Andrzej M. Oles , Krzysztof Wohlfeld

Entanglement can improve the measurement precision of quantum sensors beyond the shot noise limit. Neutral atoms, the basis of some of the most precise and accurate optical clocks and interferometers, do not naturally exhibit all-to-all…

Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…

Chemical Physics · Physics 2016-09-08 Christopher J. Stein , Vera von Burg , Markus Reiher
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