Related papers: Density matrix embedding theory for interacting el…
We present a multi-scale approach to efficiently embed an ab initio correlated chemical fragment described by its energy-weighted density matrices, and entangled with a wider mean-field many-electron system. This approach, first presented…
Based on a generalization of Hohenberg-Kohn's theorem, we propose a ground state theory for bosonic quantum systems. Since it involves the one-particle reduced density matrix $\gamma$ as a natural variable but still recovers quantum…
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…
We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a…
In this work, a Landauer approach enabled by the Frequency Domain Perfectly Matched Layer Method (FDPML) is used to study phonon transport in a series of large 2D domains with randomly embedded nanoparticles over a wide range of…
The theory of Raman scattering by the electron--phonon coupled system in metals and heavily doped semiconductors is developed taking into account the Coulomb screening and the electron--phonon deformation interaction. The Boltzmann equation…
We study the quantum dynamics of conversion of composite bosons into fermionic fragment species with increasing densities of bound fermion pairs using the open quantum system approach. The Hilbert space of $N$-state-function is decomposed…
We review recently introduced numerical methods for the unbiased detection of the order parameter and/or dominant correlations, in many-body interacting systems, by using reduced density matrices. Most of the paper is devoted to the…
We study a system coupled to external degrees of freedom, called bath, where we assume that the total system, consisting of system and bath is in equilibrium. An expansion in the coupling between system and bath leads to a general form of…
Density functional theory maps an interacting Hamiltonian onto the Kohn-Sham Hamiltonian, an explicitly free model with identical local fermion densities. Using the interaction distance, the minimum distance between the ground state of the…
We consider a one dimensional interacting bose-fermi mixture with equal masses of bosons and fermions, and with equal and repulsive interactions between bose-fermi and bose-bose particles. Such a system can be realized in experiments with…
We present a novel approach for computing reduced density matrices for superpositions of eigenstates of a Bethe-ansatz solvable model by direct integration of the wave function in coordinate representation. A diagrammatic approach is…
We review the properties of reduced density matrices for free fermionic or bosonic many-particle systems in their ground state. Their basic feature is that they have a thermal form and thus lead to a quasi-thermodynamic problem with a…
The dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…
We study a recently proposed quantum dimer model for the pseudogap metal state of the cuprates. The model contains bosonic dimers, representing a spin-singlet valence bond between a pair of electrons, and fermionic dimers, representing a…
We investigate a spinless fermion system on a one dimensional lattice interacting locally with the optical modes of a quantized phonon field: the Holstein model. The system is shown to have a disordered ground state, for small enough…
We employ detuning-dependent decay-rate measurements of a quantum dot in a photonic-crystal cavity to study the influence of phonon dephasing in a solid-state quantum-electrodynamics experiment. The experimental data agree with a…
Site-occupation embedding theory (SOET) is an alternative formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting…
We discuss an extension of the (massless) Thirring model describing interacting fermions in one dimension which are coupled to phonons and where all interactions are local. This fermion-phonon model can be solved exactly by bosonization. We…
The thermodynamic approach to density functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero temperature) Bose-Einstein condensates (BECs). The simplest…