Related papers: Scaling the spin densities separately in density f…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
The relativistic equation of motion of a particle with spin is derived. The effects of the spin are compared to the effects of the self force. For low energies the spin effects are shown to be two orders of magnitude larger than the self…
We identify universal spatial fluctuations in systems with non trivial spin dynamics. To this end we calculate by exact numerical diagonalization a variety of experimentally relevant correlations between spinor amplitudes, spin…
Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems…
Weakly interacting Fermi gases exhibit rich collective dynamics in spin-dependent potentials, arising from correlations between spin degrees of freedom and conserved single atom energies, offering broad prospects for simulating many-body…
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the…
The exact solution of the Dirac equation for fermions coupled to an external periodic chiral condensate (chiral spiral) is used to obtain the exact formula for the Wigner function (up to the quantum loop corrections). We find that the…
Stress vs. strain fluctuations in athermal amorphous solids are an example of `crackling noise' of the type studied extensively in the context of elastic membranes moving through random potentials. Contrary to the latter, we do not have a…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…
A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…
The spin degree of freedom can play an essential role in determining the electrical transport properties of spin-polarized electron systems in metals or semiconductors. In this article, I address the dependence of spin-subsystem chemical…
A semi-relativistic density-functional theory that includes spin-orbit couplings and Zeeman fields on equal footing with the electromagnetic potentials, is an appealing framework to develop a unified first-principles computational approach…
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…
The response of an infinite, periodic, insulating, solid to an infinitesimally small electric field is investigated in the framework of Density Functional Theory. We find that the applied perturbing potential is not a unique functional of…
We consider a two-dimensional Coulomb gas of positive and negative pointlike unit charges interacting via a logarithmic potential. The density (rather than the charge) correlation functions are studied. In the bulk, the form-factor theory…
It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…
We discuss an efficient scheme for obtaining spin-polarized quasi-particle excitation energies within the general framework of the density functional theory (DFT). Our approach is to correct the DFT eigenvalues via the electrostatic energy…
We study the dynamics of spin currents in the XX spin-1/2 ladder at finite temperature. Within the framework of linear response theory, we numerically calculate autocorrelation functions for quantum systems larger than what is accessible…
It is shown that the electron density functional correlation functional satisfies an equation that links the N-electron and (N-1)-electron densities of the same adiabatically scaled Hamiltonian of the interacting electron system.