相关论文: Generalized Pauli constraints in reduced density m…

Let $V=\bigotimes_{k=1}^{N} V_{k}$ be the $N$ spin-$j$ Hilbert space with $d=2j+1$-dimensional single particle space. We fix an orthonormal basis $\{|m_i\rangle\}$ for each $V_{k}$, with weight $m_i\in \{-j,\ldots j\}$. Let $V_{(w)}$ be the…

We consider ensembles of bipartite states resulting from a random passive Gaussian unitary applied to a fiducial pure Gaussian state. We show that the symplectic spectra of the reduced density operators concentrate around that of a thermal…

To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…

A representation of polymer self-consistent field theory equivalent to quantum density functional theory is given in terms of non-orthogonal basis sets. Molecular integrals and self-consistent equations for spherically symmetric systems…

We consider several limiting cases of the joint probability distribution for a random matrix ensemble with an additional interaction term controlled by an exponent $\gamma$ (called the $\gamma$-ensembles). The effective potential, which is…

Recently, we introduced (e-print arXiv:1407.7128) {\em local reduced density matrix functional theory} (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local…

We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schr\"odinger perturbation theory to show that, in…

Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…

A simple comparison between the exact and approximate correlation components U of the electron-electron repulsion energy of several states of few-electron harmonium atoms with varying confinement strengths provides a superior validation…

We present an ab-initio approach for grand canonical ensembles in thermal equilibrium with local or nonlocal external potentials based on the one-reduced density matrix. We show that equilibrium properties of a grand canonical ensemble are…

We propose a framework to describe and simulate a class of many-body quantum states. We do so by considering joint eigenspaces of sets of monomial unitary matrices, called here "M-spaces"; a unitary matrix is monomial if precisely one entry…

We prove a rigorous inequality estimating the purity of a reduced density matrix of a composite quantum system in terms of cross-correlation of the same state and an arbitrary product state. Various immediate applications of our result are…

Excited-state properties of highly correlated systems are key to understanding photosynthesis, luminescence, and the development of novel optical materials, but accurately capturing their interactions is computationally costly. We present…

A new distribution for systems of particles in equilibrium obeying exclusion of correlated states is presented following the Haldane's state counting. It relies upon an ansatz to deal with the multiple exclusion that takes place when the…

Our paper [Phys. Rev. A 93, 052512 (2016)], proposing a novel form of single determinant wave function that admits non-idempotent 1-electron density matrices, has recently received a Comment [Phys. Rev. A ??, 0????? (2017)] suggesting a…

In this paper, we present a unified analysis of matrix completion under general low-dimensional structural constraints induced by {\em any} norm regularization. We consider two estimators for the general problem of structured matrix…

Let a pure state \psi be chosen randomly in an NM-dimensional Hilbert space, and consider the reduced density matrix \rho of an N-dimensional subsystem. The bipartite entanglement properties of \psi are encoded in the spectrum of \rho. By…

The one-particle density of states (1P-DOS) in a system with localized electron states vanishes at the Fermi level due to the Coulomb interaction between electrons. Derivation of the Coulomb gap uses stability criteria of the ground state.…

A system of electrons in a local or nonlocal external potential can be studied with 1-matrix functional theory (1MFT), which is similar to density functional theory (DFT) but takes the one-particle reduced density matrix (1-matrix) instead…

Structural and dynamic correlations in the ground state of the one-dimensional Fermi one-component plasma are studied by Quantum Monte Carlo simulations. Results are presented for the pair correlation function, static structure factor, the…