Related papers: Magnons in real materials from density-functional …
A consistent theory to describe the correlated dynamics of quantum mechanical itinerant spins and semiclassical local magnetization is given. We consider the itinerant spins as quantum mechanical operators, whereas local moments are…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…
We theoretically describe the phenomenon of non-adiabatic spin dynamics, which occurs in a gas cell filled by alkali vapor in presence of a strong alternating magnetic field and pump light. Steep increase of the spin polarization occurs if…
In order to search for the magnetic ground state of surface nanostructures we extended first principles adiabatic spin dynamics to the case of fully relativistic electron scattering. Our method relies on a constrained density functional…
Kinetic energy functionals of the electronic density are used to model large systems in the context of density functional theory, without the need to obtain electronic wavefunctions. We discuss the problems associated with the application…
The state-of-the-art theoretical description of magnetic materials relies on solving effective Heisenberg spin problems or their generalizations to relativistic or multi-spin-interaction cases that explicitly assume the presence of local…
The adiabatic motion of a charged, spinning, quantum particle in a two - dimensional magnetic field is studied. A suitable set of operators generalizing the cinematical momenta and the guiding center operators of a particle moving in a…
In active Brownian motion, an internal propulsion mechanism interacts with translational and rotational thermal noise and other internal fluctuations to produce directed motion. We derive the distribution of its extreme fluctuations and…
We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay…
Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…
We calculate the effective charge for multimagnon infrared (IR) absorption assisted by phonons in a perovskite like antiferromagnet and we compute the spectra for two magnon absorption using interacting spin-wave theory. The full set of…
We investigate the detectability of sub-dominant spin effects in merging black-hole binaries using current gravitational-wave data. Using a phenomenological model that separates the spin dynamics into precession (azimuthal motion) and…
In a time-orbiting-potential magnetic trap the neutral atoms are confined by means of an inhomogeneous magnetic field superimposed to an uniform rotating one. We perform an analytic study of the atomic motion by taking into account the…
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…
The magnetic properties of iron (spin and orbital magnetic moments, magnetocrystalline anisotropy energy) in various geometries and dimensionalities are investigated by using a parametrized tight-binding model in an $s$, $p$ and $d$ atomic…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
The methods of Nuclear Magnetic Resonance belong to the best developed and often used tools for studying random motion of particles in different systems, including soft biological tissues. In the long-time limit the current mathematical…
Understanding and controlling non-equilibrium dynamics in quantum many-body systems is a fundamental challenge in modern physics, with profound implications for advancing quantum technologies. Typically, periodically driven systems in the…