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In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure…

Strongly Correlated Electrons · Physics 2015-03-11 Y. O. Kvashnin , O. Grånäs , I. Di Marco , M. I. Katsnelson , A. I. Lichtenstein , O. Eriksson

We present a first-principles investigation of the spin-ice state in Dy$_2$Ti$_2$O$_7$ using a magnetic source-free exchange and correlation functional, implemented in the Castep electronic-structure code. By comparing results from the…

Materials Science · Physics 2023-02-20 Z. Hawkhead , N. Gidopoulos , S. J. Blundell , S. J. Clark , T. Lancaster

Chiral spin textures are researched widely in condensed matter systems and show potential for spintronics and storage applications. Along with extensive condensed-matter studies of chiral spin textures, photonic counterparts of these…

Optics · Physics 2021-12-14 Peng Shi , Luping Du , Mingjie Li , Xiaocong Yuan

We consider an aggregation-diffusion equation modelling particle interaction with non-linear diffusion and non-local attractive interaction using a homogeneous kernel (singular and non-singular) leading to variants of the Keller-Segel model…

Analysis of PDEs · Mathematics 2016-12-28 Vincent Calvez , Jose Antonio Carrillo , Franca Hoffmann

We study the magnetic relaxation of a system of localized spins interacting through weak dipole interactions, at a temperature large with respect to the ordering temperature but low with respect to the crystal field level splitting. The…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 A. Cuccoli , A. Fort , A. Rettori , E. Adam , J. Villain

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information…

Strongly Correlated Electrons · Physics 2024-10-15 Tong Shen , Hatem Barghathi , Adrian Del Maestro , Brenda Rubenstein

We consider theoretically the interplay between Zeeman coupling and exchange-induced swap action in spin-based quantum dot quantum computer models in the presence of inhomogeneous magnetic fields, which are invariably present in real…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Xuedong Hu , Rogerio de Sousa , S. Das Sarma

We discuss the conditions under which identical particles may yet be distinguishable and the relationship between particle permutation and exchange. We show that we can always define permutation-symmetric state vectors. When the particles…

Quantum Physics · Physics 2007-05-23 Michael J. York

In this work, building up on [1] we present momentum space Ward identities related to broken higher spin symmetry as an alternate approach to computing correlators of spinning operators in interacting theories such as the quasi-fermionic…

High Energy Physics - Theory · Physics 2021-07-28 Sachin Jain , Renjan Rajan John , Vinay Malvimat

Assuming the spin-independence for confining force, we give a covariant quark representation of general composite meson systems with definite Lorentz transformation properties. For benefit of this representation we are able to deduce…

High Energy Physics - Phenomenology · Physics 2009-10-31 Shin Ishida , Muneyuki Ishida , Tomohito Maeda

A recombination emission spectrum is applied to study the local lattice distortion due to core excitation in graphite. The recombination emission spectrum reveals a long low-energy tail when the C $1s$ electron is excited to the $\sigma^*$…

Materials Science · Physics 2009-11-10 Y. Harada , T. Tokushima , Y. Takata , T. Takeuchi , Y. Kitajima , S. Tanaka , Y. Kayanuma , S. Shin

We study the relations between spin squeezing and concurrence, and find that they are qualitatively equivalent for an ensemble of spin-1/2 particles with exchange symmetry and parity, if we adopt the spin squeezing criterion given by the…

Quantum Physics · Physics 2011-01-21 Xiaolei Yin , Xiaoqian Wang , Jian Ma , Xiaoguang Wang

We derive and implement a suitable boundary condition for the kinetic description of the electrons inside a plasma, which takes into account microphysical processes inside the wall. It is based on the surface scattering kernel, which…

Plasma Physics · Physics 2025-11-26 Felix Willert , Clemens Hoyer , Gordon K. Grubert , Franz X. Bronold

We find the numerically exact partition potential for 1-D systems of interacting electrons designed to model diatomic molecules. At integer fragment occupations, the kinetic contribution to the partition potential develops sharp features in…

Chemical Physics · Physics 2018-11-14 Yan Oueis , Adam Wasserman

We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…

Mesoscale and Nanoscale Physics · Physics 2019-06-19 László Oroszlány , Jaime Ferrer , András Deák , László Udvardi , László Szunyogh

We develop an efficient package for the simulation of nuclear magnetic resonance spin echo experiments to study the effects of strong electronic spin correlations on the dynamics of the nuclear spin ensemble. A mean-field model is used to…

Strongly Correlated Electrons · Physics 2026-02-09 Charles Snider , Stephen Carr , D. E. Feldman , Chandrasekhar Ramanathan , V. F. Mitrović

Highly symmetric magnetic environments have been suggested to stabilize the magnetic information stored in magnetic adatoms on a surface. Utilized as memory devices such systems are subjected to electron tunneling and external magnetic…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Christoph Hübner , Benjamin Baxevanis , Alexander Ako Khajetoorians , Daniela Pfannkuche

In this work, we investigate dispersion interactions in a selection of atomic, molecular, and molecule-surface systems, comparing high-level correlated methods with empirically-corrected density functional theory (DFT). We assess the…

Chemical Physics · Physics 2021-01-27 Tyler J. Hughes , Robert A. Shaw , Salvy P. Russo

We present a theoretical study of the interaction between an atom characterized by a degenerate ground state and a reciprocal environment, such as a semiconductor nanoparticle, without the presence of external bias. Our analysis reveals…

Quantum Physics · Physics 2024-03-22 Mário G. Silveirinha , Hugo Terças , Mauro Antezza

Numerical modelling of coherent spin relaxation in nanomagnets, formed by magnetic molecules of high spins, is accomplished. Such a coherent spin dynamics can be realized in the presence of a resonant electric circuit coupled to the magnet.…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 V. I. Yukalov , V. K. Henner , P. V. Kharebov