Related papers: Broken Symmetry in Density-Functional Theory: Anal…

Reflection of particles from a disordered or chaotic medium is characterized by a scattering matrix that can be represented as a superposition of resonances. Each resonance corresponds to an eigenstate inside the medium and has a width…

We here present how a self-consistent solution of the dynamical mean field theory equations can be obtained using exact diagonalization of an Anderson impurity model with accuracies comparable to those found using renormalization group or…

We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…

We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…

The basis-set correction method based on density-functional theory consists in correcting the energy calculated by a wave-function method with a given basis set by a density functional. This basis-set correction density functional…

We develop a theory that accurately evaluates quantum phases with any large-scale emergent structures including incommensurate density waves or topological textures without {\it a priori} knowing their periodicity. We spatially deform a…

The application of density functional theory to nuclear structure is discussed, highlighting the current status of the effective action approach using effective field theory, and outlining future challenges.

Mean-field theories have proven to be efficient tools for exploring diverse phases of matter, complementing alternative methods that are more precise but also more computationally demanding. Conventional mean-field theories often fall short…

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…

Faithful representations of atomic environments and general models for regression can be harnessed to learn electron densities that are close to the ground state. One of the applications of data-derived electron densities is to orbital-free…

The Wigner function for one and two-mode quantum systems is explicitely expressed in terms of the marginal distribution for the generic linearly transformed quadratures. Then, also the density operator of those systems is written in terms…

We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…

Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…

Supersymmetry plays a main role in all current thinking about superstring theory. Indeed, many remarkable properties of string theory have been explained using supersymmetry as a tool. So far, there has been no unbroken supersymmetry…

We study a SU(2)_L x U(1)_Y gauge theory in the Randall-Sundrum background, including electroweak symmetry breaking due to a brane-localized Higgs sector. We work in the decomposed four dimensional theory and treat the symmetry breaking…

In this work we study a two species driven diffusive system with open boundaries that exhibits spontaneous symmetry breaking in one dimension. In a symmetry broken state the currents of the two species are not equal, although the dynamics…

Through introducing a notion of renormalization of particle-number density, a simple perturbation scheme of nonequilibrium quantum-field theory is proposed. In terms of the renormalized particle-distribution functions, which characterize…

Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…

Spontaneous symmetry breaking in non-relativistic quantum systems has previously been addressed in the framework of effective field theory. Low-lying excitations are constructed from Nambu-Goldstone modes using symmetry arguments only. We…

We review the role of self-consistency in density functional theory. We apply a recent analysis to both Kohn-Sham and orbital-free DFT, as well as to Partition-DFT, which generalizes all aspects of standard DFT. In each case, the analysis…