相关论文: Minimum Magnetizability Principle

We have assessed the accuracy for magnetic properties of a set of 51 density functional approximations, including both recently published as well as already established functionals. The accuracy assessment considers a series of 27 small…

A mathematical framework for reduced density matrix functional theory (RDMFT) is proposed. The work is inspired by and generalizes the work by E.H.~Lieb [E.H. Lieb, Int. J. Quant. Chem. 24(1983), pp.243--277] on density-functional theory…

The solution of the mean spherical approximation (MSA) integral equation for isotropic multicomponent dipolar hard sphere fluids without external fields is used to construct a density functional theory (DFT), which includes external fields,…

A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…

A recently developed approach, conditional probability density functional theory (CP-DFT), yields direct access to the exchange-correlation hole of a system, an important correlation function that is not available from any standard DFT…

We discuss a spin-transfer torque device, where the role of the soft ferromagnetic layer is played by a magnetic particle or a magnetic molecule, in weak tunnel contact with two spin polarized leads. We investigate if the magnetization of…

A magnetically dominated plasma driven by motions on boundaries at which magnetic field lines are anchored is forced to dissipate the work being done upon it, no matter how small the electrical resistivity. Numerical experiments have…

In [Phys. Rev. Lett. 127, 023001 (2021)] a reduced density matrix functional theory (RDMFT) has been proposed for calculating energies of selected eigenstates of interacting many-fermion systems. Here, we develop a solid foundation for this…

We review an approach where the energy functional of Density-Functional Theory (DFT) can be determined without empiricism via a Quantum Monte Carlo (QMC) procedure. The idea consists of a nested iterative loop where the configurational…

Magnetic gels and elastomers are promising candidates to construct reversibly excitable soft actuators, triggered from outside by magnetic fields. These magnetic fields induce or alter the magnetic interactions between discrete rigid…

We study the behavior of magnetization curve as a function of magnetic field in the immediate vicinity of the magnetization plateaus of 1D electron systems within the bosonization formalism. First we discuss the plateau that is formed at…

Assumption of certain hierarchy of soft ferromagnet energy terms, realized in small enough flat nano-elements, allows to obtain explicit expressions for their magnetization distributions. By minimising the energy terms sequentially, from…

Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…

Systematically studying the crystal, magnetic, and electronic structures of PuGa3 with density functional theory (DFT) reveals the entanglement of the three types of structure. Magnetic structure affects the energy more strongly than…

The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…

The increasing interest in the Mueller density-matrix-functional theory has led us to a systematic mathematical investigation of its properties. This functional is similar to the Hartree-Fock functional, but with a modified exchange term in…

A theory of electromagnetism is proposed that is based on the Fermi Lagrangian, which is symmetric under electromagnetic spin rotation. Its features are: - the four-potential is unambiguously determined by the inhomogeneous wave equation…

The interaction between spherical magnetic nanoparticles is investigated from micromagnetic simulations and ananlysed in terms of the leading dipolar interaction energy between magnetic dipoles. We focus mainly on the case where the…

In electronic many-particle systems, the mapping between densities and spin magnetizations, {n(r), m(r)}, and potentials and magnetic fields, {v(r), B(r)}, is known to be nonunique, which has fundamental and practical implications for…

Electric field control of magnetic structures, particularly topological defects in magnetoelectric materials, draws a great attention in recent years, which has led to experimental success in creation and manipulation by electric field of…