Related papers: Determining the ensemble N-representability of Red…
A Lagrangian formulation for the constrained search for the $N$-representable one-particle density matrix based on the McWeeny idempotency error minimization is proposed, which converges systematically to the ground state. A closed form of…
Density matrix exponentiation (DME) is a general procedure that converts an unknown quantum state into the Hamiltonian evolution. This enables state-dependent operations and can reveal nontrivial properties of the state, among other…
The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly-occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the…
In the context of the Oppenheim-Horodecki paradigm of nonclassical correlation, a bipartite quantum state is (properly) classically correlated if and only if it is represented by a density matrix having a product eigenbasis. On the basis of…
Motivated by the Kronecker product approximation technique, we have developed a very simple method to assess the inseparability of bipartite quantum systems, which is based on a realigned matrix constructed from the density matrix. For any…
We discuss how semidefinite programming can be used to determine the second-order density matrix directly through a variational optimization. We show how the problem of characterizing a physical or N -representable density matrix leads to…
Representability determines when a two-particle reduced density matrix (2-RDM) corresponds to a physical quantum state, enabling many-particle quantum calculations with 2-RDMs rather than the wave function. In this Letter, we present a…
The estimation of the density matrix of a $k$-level quantum system is studied when the parametrization is given by the real and imaginary part of the entries and they are estimated by independent measurements. It is established that the…
We provide a simple analytic relation which connects the density operator of the radiation field with the number probabilities. The problem of experimentally "sampling" a general matrix elements is studied, and the deleterious effects of…
A quantum system's state is identified with a density matrix. Though their probabilistic interpretation is rooted in ensemble theory, density matrices embody a known shortcoming. They do not completely express an ensemble's physical…
The density matrix renormalization group (DMRG) algorithm was originally designed to efficiently compute the zero temperature or ground-state properties of one dimensional strongly correlated quantum systems. The development of the…
Given the algebra of observables of a quantum system subject to selection rules, a state can be represented by different density matrices. As a result, different von Neumann entropies can be associated with the same state. Motivated by a…
Computation of Uhlmann fidelity between many-body mixed states generally involves full diagonalization of exponentially large matrices. In this work, we introduce a polynomial-time algorithm to compute certified lower and upper bounds for…
Electronic structure and transport in realistically-sized systems often require an open quantum system (OQS) treatment, where the system is defined in the context of an environment. As OQS evolution is non-unitary, implementation on quantum…
We present error mitigation (EM) techniques for noisy intermediate-scale quantum computers (QC) based on density matrix purification and perturbative corrections to the target energy. We incorporate this scheme into the variational quantum…
Quantum state tomography (QST) aiming at reconstructing the density matrix of a quantum state plays an important role in various emerging quantum technologies. Recognizing the challenges posed by imperfect measurement data, we develop a…
Scattering by an isolated defect embedded in a dielectric medium of two dimensional periodicity is of interest in many sub-fields of electrodynamics. Present approaches to compute this scattering rely either on the Born approximation and…
We introduce a new technique for the simulation of dissipative quantum systems. This method is composed of an approximate decomposition of the Lindblad equation into a Kraus map, from which one can define an ensemble of wavefunctions. Using…
It is a hard and important problem to find the criterion of the set of positive-definite matrixes which can be written as reduced density operators of a multi-partite quantum state. This problem is closely related to the study of many-body…
We use density-matrix renormalization group, applied to a one-dimensional model of continuum Hamiltonians, to accurately solve chains of hydrogen atoms of various separations and numbers of atoms. We train and test a machine-learned…