Related papers: Non-collinear density functional theory
Analytical formulae for functional differentiation under simultaneous K-conservation constraints, with K the integral of some function of the functional variable, are derived, making the proper account for the simultaneous conservation of…
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…
Second-order characteristics including covariance and spectral density functions are fundamentally important for both statistical applications and theoretical analysis in functional time series. In the high-dimensional setting where the…
An antiferromagnet is a promising material for spin-orbit torque generation. Earlier studies of the spin-orbit torque in an antiferromagnet are limited to collinear spin configurations. We calculate the spin-orbit torque in an…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
Over the last few decades, classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently, previous DDFTs for spherically-symmetric particles have been…
Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…
In this short paper, we consider the functional density on sets of uniformly bounded triangulations with fixed sets of vertices. We prove that if a functional attains its minimum on the Delaunay triangulation, for every finite set in the…
We show that generalized spherical harmonics are well suited for representing the space and orientation molecular density in the resolution of the molecular density functional theory. We consider the common system made of a rigid solute of…
By incorporating spinning particles into the framework of classical General Relativity, the theory is changed insofar, as, though using holonome coordinates, the connexion becomes asymmetrical. This implies, that partial derivatives do not…
In this paper, a statistical physical derivation of thermodynamically consistent fluid mechanical equations is presented for non-isothermal viscous molecular fluids. The coarse-graining process is based on (i) the adiabatic expansion of the…
In this paper we review the extent to which one can use classical distribution theory in describing solutions of Einstein's equations. We show that there are a number of physically interesting cases which cannot be treated using…
In the context of functional data analysis, probability density functions as non-negative functions are characterized by specific properties of scale invariance and relative scale which enable to represent them with the unit integral…
We study the set of continuous functions that admit no spurious local optima (i.e. local minima that are not global minima) which we term \textit{global functions}. They satisfy various powerful properties for analyzing nonconvex and…
A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…
The onset of condensation of hard spheres in a gravitational field is studied using density functional theory. In particular, we find that the local density approximation yields results identical to those obtained previously using the…
Equations of motion of spinning density for extended objects, and corresponding deviation equations are derived. The problem of motion for a variable mass to a spinning extended object is obtained. Spinning fluids may be considered as a…
Using conformal field theory (CFT) arguments we derive an infinite number of constraints on the large spin expansion of the anomalous dimensions and structure constants of higher spin operators. These arguments rely only on analiticity,…
In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…
Conformal theory correlators are characterized by the spectrum and three- point functions of local operators. We present a formula which extracts this data as an analytic function of spin. In analogy with a classic formula due to Froissart…