相关论文: Connecting N-representability to Weyl's problem: T…

We present a constructive solution to the N-representability problem---a full characterization of the conditions for constraining the two-electron reduced density matrix (2-RDM) to represent an N-electron density matrix. Previously known…

We have found a (dense) basis for the N-representable, two-electron densities, in which all N-representable two-electron densities can be expanded, using positive coefficients. The inverse problem of finding a representative wavefunction,…

We investigate the problem of the existence of a density matrix rho on the product of three Hilbert spaces with given marginals on the pair (1,2) and the pair (2,3). While we do not solve this problem completely we offer partial results in…

We derive and analyze a hierarchy of approximations to the strongly correlated limit of the Hohenberg-Kohn functional. These "density representability approximations" are obtained by first noting that in the strongly correlated limit,…

Consider a projector matrix P, representing the first order reduced density matrix in a basis of orthonormal atom-centric basis functions. A mathematical question arises, and that is, how to break P into its natural component kernel…

A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave…

In this paper we give the new sufficient conditions of entanglement for multipartite qubit density matrixes. We discuss in detail the case for tripartite qubit density matrixes. As a criterion in concrete application, its steps are quite…

We give a new separability criterion, a necessary condition for separability of $N$-partite quantum states. The criterion is based on the Bloch representation of a $N$-partite quantum state and makes use of multilinear algebra, in…

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…

We establish necessary and sufficient conditions for the N-representability of the universal one-electron reduced density matrix functional. Functionals satisfying these conditions are guaranteed to yield variational upper bounds on the…

The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…

We present a necessary and sufficient condition for three qutrit density matrices to be the one-particle reduced density matrices of a pure three-qutrit quantum state. The condition consists of seven classes of inequalities satisfied by the…

We recently presented a constructive solution to the N-representability problem of the two-electron reduced density matrix (2-RDM)---a systematic approach to constructing complete conditions to ensure that the 2-RDM represents a realistic…

The correlation matrices or tensors in the Bloch representation of density matrices are encoded with entanglement properties. In this paper, based on the Bloch representation of density matrices, we give some new separability criteria for…

We provide a solution to the v-representability problem for a non-relativistic quantum many-particle system on a ring domain in terms of Sobolev spaces and their duals. Any one-particle density that is square-integrable, has a…

The density of state for a complex $N\times N$ random matrix coupled to an external deterministic source is considered for a finite N, and a compact expression in an integral representation is obtained.

We study the separability of bipartite quantum systems in arbitrary dimensions using the Bloch representation of their density matrix. This approach enables us to find an alternative characterization of the separability problem, from which…

In methods like geminal-based approaches or coupled cluster that are solved using the projected Schr\"odinger equation, direct computation of the 2-electron reduced density matrix (2-RDM) is impractical and one falls back to a 2-RDM based…

A previous study of diatomic molecules revealed that variational second-order density matrix theory has serious problems in the dissociation limit when the N-representability is imposed at the level of the usual two-index (P, Q, G) or even…

Let $\mathcal{P}$ denote the set of all primes. $P_{1},P_{2},P_{3}$ are three subsets of $\mathcal{P}$. Let $\underline{\delta}(P_{i})$ $(i=1,2,3)$ denote the lower density of $P_{i}$ in $\mathcal{P}$, respectively. It is proved that if…