Related papers: Minimum Magnetizability Principle
The correlation kinetic equation approach is developed that allows describing spin correlations in a material with hopping transport. The quantum nature of spin is taken into account. The approach is applied to the problem of the bipolaron…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…
Vacuum instability of the strong electromagnetic field has been discussed since long time ago. The instability of the strong electric field due to creation of electron pairs is one of the examples, which is known as Schwinger process. What…
Small magnetic particles placed in a relatively soft polymer (with elastic modulus E ~ 10-100 kPa) are magnetically soft elastomers. The external magnetic field acts on each particle which leads to microscopic deformation of the material…
We provide a constructive algorithm to find the best separable approximation to an arbitrary density matrix of a composite quantum system of finite dimensions. The method leads to a condition of separability and to a measure of…
Magnetic excitations of single atoms on surfaces have been widely studied experimentally in the past decade. Lately, systems with unprecedented magnetic stability started to emerge. Here, we present a general theoretical investigation of…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In…
Recently experimental techniques, such as magnetic force microscopy (MFM), have enabled the magnetic state of individual sub-micron particles to be resolved. Motivated by these experimental developments, we use Monte Carlo simulations of…
The inverse problem treated in this article consists in reconstructing the electrical conductivity from the free response of the system in the magneto-quasi-stationary (MQS) limit. The MQS limit corresponds to a diffusion PDE. In this…
Magnetic helicity is conserved under ideal magnetohydrodynamics (MHD) and quasi-conserved even under a resistive process. The standard definition for magnetic helicity cannot be applied directly to an open magnetic field in a volume,…
The molecular compound [Fe$_{2}$($\mu_{2}$-oxo)(C$_{3}$H$_{4}$N$_{2}$)$_{6}$(C$_{2}$O$_{4}$)$_{2}$] was designed and synthesized for the first time and its structure was determined using single-crystal X-ray diffraction. The magnetic…
We prove the existence of the exact density-functional theory formalism for open electronic systems, and develop subsequently an exact time-dependent density-functional theory (TDDFT) formulation for the dynamic response. The TDDFT…
The magnet system is one of the key elements of a watt balance. For the new watt balance currently under construction at the National Institute of Standards and Technology, a permanent magnet system was chosen. We describe the detailed…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
Magnetic phenomena are in chemistry and condensed matter physics considered to be associated with low temperatures. That a magnetic state, or order, is stable below a critical temperature as well as becoming stronger the lower the…
A new methodology for micromagnetic simulations of magnetic nanocomposites is presented. The methodology is especially suitable for simulations of two-phase composites consisting of magnetically hard inclusions in a soft magnetic matrix…
Similar to atoms and nuclei, semiconductor quantum dots exhibit formation of shells. Predictions of magnetic behavior of the dots are often based on the shell occupancies. Thus, closed-shell quantum dots are assumed to be inherently…
This paper investigates the existence and qualitative properties of minimizers for a class of nonlocal micromagnetic energy functionals defined on bounded domains. The considered energy functional consists of a symmetric exchange…