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200 papers

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas

The discovery of a superconducting dome in the proximity of the magnetic to paramagnetic transition in the electronic phase diagram of MnP as a function of hydrostatic pressure has renewed the interest in the magnetic properties of this…

Superconductivity · Physics 2016-03-30 Pietro Bonfá , Ifeanyi John Onuorah , Roberto De Renzi

There is a widely-held belief amongst theoreticians that the Gilbert damping parameter {\alpha} in magnetization dynamics is infinite for a pure metal at T=0. The basic error leading to this belief is pointed out explicitly and the various…

Materials Science · Physics 2018-09-26 D. M. Edwards

The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system and its electron density or one-particle reduced density…

Chemical Physics · Physics 2023-02-22 Xuecheng Shao , Lukas Paetow , Mark E. Tuckerman , Michele Pavanello

We propose a novel scheme to bring reduced density matrix functional theory (RDMFT) into the realm of density functional theory (DFT) that preserves the accurate density functional description at equilibrium, while incorporating accurately…

Chemical Physics · Physics 2014-11-07 Nektarios N. Lathiotakis , Nicole Helbig , Angel Rubio , Nikitas I. Gidopoulos

The soft photon theorem, in its standard form, requires corrections when the asymptotic particle states carry magnetic charges. These corrections are deduced using electromagnetic duality and the resulting soft formula conjectured to be…

High Energy Physics - Theory · Physics 2016-01-27 Andrew Strominger

Based on a functional-integral formalism, a generalization of the self-energy-functional theory (SFT) is proposed which is applicable to systems of interacting electrons with disorder. Similar to the pure case without disorder, a…

Strongly Correlated Electrons · Physics 2013-05-29 Michael Potthoff , Matthias Balzer

The use of energy functionals based on density as the basic variable is advocated for ab initio molecular dynamics. It is demonstrated that the constraint of positivity of density can be incorporated easily by using square root density for…

Condensed Matter · Physics 2009-10-22 Vaishali Shah , Dinesh Nehete , D. G. Kanhere

We present a framework for modeling the transport of any number of globally conserved quantities in any spatial configuration and apply it to obtain a model of magnetization transport for spin-systems that is valid in new regimes (including…

Mesoscale and Nanoscale Physics · Physics 2014-08-15 Rico A. R. Picone , Joseph L. Garbini , John A. Sidles

We investigate a variational theory for magnetoelastic solids under the incompressibility constraint. The state of the system is described by deformation and magnetization. While the former is classically related to the reference…

Analysis of PDEs · Mathematics 2015-01-08 Martin Kružík , Ulisse Stefanelli , Jan Zeman

Rigorous mathematical foundations of density functional theory are revisited, with some use of infinitesimal (nonstandard) methods. A thorough treatment is given of basic properties of internal energy and ground-state energy functionals…

Other Condensed Matter · Physics 2016-06-30 Paul E. Lammert

The synthesis of molecular magnets has undergone rapid progress in recent years. Each of the identical molecular units can contain as few as two and up to several dozens of paramagnetic ions (spins). Although these materials appear as…

Strongly Correlated Electrons · Physics 2009-11-11 J. Schnack

The optical properties of a small magnetic cluster are studied in a magnetic version of Frank-Condon principle. This simple model is considered to show new basic physics and could be adopted to treat real problems. The energies and…

Strongly Correlated Electrons · Physics 2009-11-11 Mahrous R. Ahmed , G. A. Gehring

A universal mechanism for strong magnetic-field effects of nonmagnetic organic semiconductors is presented. A weak magnetic field (less than hundreds mT) can substantially change the charge carrier hopping coefficient between two…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 X. R. Wang , S. J. Xie

For more than a century, electricity and magnetism have been believed to always exhibit inextricable link due to the symmetry in electromagnetism. At the interface, polar groups that have polar charges, are indispensable to be considered,…

Soft Condensed Matter · Physics 2022-05-13 Jihong Wang , Yizhou Yang , Jie Jiang , Liuhua Mu , Guosheng Shi , Yongshun Song , Haijun Yang , Peng Xiu , Liang Chen , Haiping Fang

Flexible ferromagnetic rings are spin-chain magnets, in which the magnetic and mechanical subsystems are coupled. The coupling is achieved through the tangentially oriented anisotropy axis. The possibility to operate the mechanics of the…

Mesoscale and Nanoscale Physics · Physics 2019-01-09 Yuri Gaididei , Kostiantyn V. Yershov , Denis D. Sheka , Volodymyr P. Kravchuk , Avadh Saxena

Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…

Materials Science · Physics 2008-08-15 C. A. Ullrich , V. Turkowski

The magnetic susceptibility of an ensemble of clean metallic nanoparticles is shown to change from paramagnetic to diamagnetic one with the onset of spin-orbit interaction. The effect is quantified on the basis of symmetry analysis with the…

Mesoscale and Nanoscale Physics · Physics 2019-08-28 B. Murzaliev , M. Titov , M. I. Katsnelson

We study the magnetization dynamics of a molecular magnet driven by static and variable magnetic fields within a semiclassical treatment. The underling analyzes is valid in a regime, when the energy is definitely lower than the anisotropy…

Chaotic Dynamics · Physics 2009-07-24 L. Chotorlishvili , P. Schwab , J. Berakdar

The interplay of electricity and magnetism, one of the cornerstones of modern physics, takes a special form in solids in such phenomena as magnetoelectricity and the possibility of multiferroic behaviour. In this paper I give a short survey…

Strongly Correlated Electrons · Physics 2016-05-03 D. I. Khomskii