Related papers: Scaling the spin densities separately in density f…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
Model-independent identities and inequalities relating the various spin observables of a reaction are reviewed in a unified formalism, together with their implications for dynamical models, their physical interpretation, and the quantum…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
Different bases for the spin-1 density matrix are discussed to clarify the connection between its components and observables measured in heavy-ion collisions. The theoretical advantage of using the adjoint representation for spin matrices…
Based on our derivation of finite temperature reduced density matrix functional theory and the discussion of the performance of its first-order functional this work presents several different correlation-energy functionals and applies them…
We probe for statistical and Coulomb induced spin textures among the low-lying states of repulsively-interacting particles confined to potentials that are both rotationally and time-reversal invariant. In particular, we focus on…
We develop a bottom-up formulation of spin-kinetic theory for hot and/or dense plasmas. We introduce scalar and axial-vector phase-space functions as dynamical variables that parametrize both spin-averaged and spin-dependent distribution…
A bivariate perspective on Kohn-Sham density functional theory is proposed, treating potential and density as simultaneous independent variables, and used to make fruitful connection between Lieb's rigorous foundational framework and…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
It has been known for some time that the exchange-correlation potential in time-dependent density functional theory is an intrinsically nonlocal functional of the density as soon as one goes beyond the adiabatic approximation. In this paper…
A hard sphere fluid confined by hard, structureless, and parallel walls is investigated using a certain version of weighted density functional theory. The density profile, the excess coverage, the finite size contribution to the free…
The spin-spin correlation function of the spherical model being precisely at an anisotropic Lifshitz point of arbitrary order is calculated exactly. The results are in agreement with scaling. The scaling function is shown to be universal.…
Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is…
We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small…
A class of generalized non-minimal coupling theories is investigated, in search of scaling attractors able to provide an accelerated expansion at the present time. Solutions are found in the strong coupling regime and when the coupling…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
We compute the entanglement between separated blocks in certain spin models showing that at criticality this entanglement is a function of the ratio of the separation to the length of the blocks and can be written as a product of a power…