Related papers: Broken Symmetry in Density-Functional Theory: Anal…
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…
We discuss a generalized self-consistent mean field (MF) treatment, based on the selection of an arbitrary subset of operators for representing the system density matrix, and its application to the problem of entanglement evaluation in…
We compare some recent computations of the entanglement of formation in quantum information theory and of the entropy of a subalgebra in quantum ergodic theory. Both notions require optimization over decompositions of quantum states. We…
In this short review we present the key definitions, ideas and techniques involved in the study of symmetry resolved entanglement measures, with a focus on the symmetry resolved entanglement entropy. In order to be able to define such…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
We present a group theoretical study of the symmetry-broken unrestricted Hartree-Fock orbitals and electron densities in the case of a two-dimensional N-electron single quantum dot (with and without an external magnetic field). The breaking…
In this work we study self-consistent solutions in one-dimensional lattice models obtained via many-body perturbation theory. The Dyson equation is solved in a fully self-consistent manner via the algorithmic-inversion method based on the…
Symmetry is a cornerstone of quantum mechanics and materials theory, underpinning the classification of electronic states and the emergence of complex phenomena such as magnetism and superconductivity. While symmetry breaking in density…
The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…
We consider the dynamical model of a binary bosonic gas trapped in a symmetric dual-core cigar-shaped potential. The setting is modeled by a system of linearly-coupled one-dimensional Gross-Pitaevskii equations with the cubic self-repulsive…
The relation between renormalization and short distance singular divergencies in quantum field theory is studied. As a consequence a finite theory is presented. It is shown that these divergencies are originated by the multiplication of…
We explore a more general class of soft supersymmetry-breaking masses and interactions than that usually considered, both in general and in the MSSM context, where our results for the one-loop $\beta$-functions correct some errors in the…
Mean field approach, although a generally reliable tool that captures major short range correlations, often fails in symmetric low dimensional strongly correlated electronic systems like those described by the Hubbard model. In these…
We study symmetry breaking in the mean field solutions to the 2 electron hydrogen molecule within Kohn Sham (KS) local spin density function theory with Dirac exchange (the XLDA model). This simplified model shows behavior related to that…
We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of coupled-cluster theory with single and double excitations…
A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced…
We review the basic ideas of the dynamical mean field theory (DMFT) and some of the insights into the electronic structure of strongly correlated electrons obtained by this method in the context of model Hamiltonians. We then discuss the…
The applicability of a broken symmetry version of the $G_0W_0$ approximation to the calculation of isotropic exchange coupling constants has been studied. Using a simple H--He--H model system the results show a significant and consistent…
The dynamical symmetry breaking in a two-field model is studied by numerically solving the coupled effective field equations. These are dissipative equations of motion that can exhibit strong chaotic dynamics. By choosing very general model…
A new version of the delta expansion is presented, which, unlike the conventional delta expansion, can be used to do nonperturbative calculations in a self-interacting scalar quantum field theory having broken symmetry. We calculate the…