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Related papers: Extremal Density Matrices for Qudit States

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We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…

Strongly Correlated Electrons · Physics 2015-08-06 Hitesh J. Changlani , Huihuo Zheng , Lucas K. Wagner

We introduce two methods for estimating the density matrix for a quantum system: Quantum Maximum Likelihood and Quantum Variational Inference. In these methods, we construct a variational family to model the density matrix of a mixed…

Quantum Physics · Physics 2019-04-15 Kyle Cranmer , Siavash Golkar , Duccio Pappadopulo

Mean-field theories have proven to be efficient tools for exploring diverse phases of matter, complementing alternative methods that are more precise but also more computationally demanding. Conventional mean-field theories often fall short…

Strongly Correlated Electrons · Physics 2024-09-04 Junyi Zhang , Zhengqian Cheng

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…

Quantum Physics · Physics 2012-07-04 David A. Mazziotti

We present a systematic study of statistical mechanics for non-Hermitian quantum systems. Our work reveals that the stability of a non-Hermitian system necessitates the existence of a single path-dependent conserved quantity, which, in…

Statistical Mechanics · Physics 2023-12-04 Kui Cao , Su-Peng Kou

Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent…

Consider the question: what statistical ensemble corresponds to minimal prior knowledge about a quantum system ? For the case where the system is in fact known to be in a pure state there is an obvious answer, corresponding to the unique…

Quantum Physics · Physics 2009-10-31 Michael J. W. Hall

We present a necessary and sufficient condition for a finite dimensional density matrix to be an extreme point of the convex set of density matrices with positive partial transpose with respect to a subsystem. We also give an algorithm for…

Quantum Physics · Physics 2009-11-13 Jon Magne Leinaas , Jan Myrheim , Eirik Ovrum

The density matrices are positively semi-definite Hermitian matrices of unit trace that describe the state of a quantum system. The goal of the paper is to develop minimax lower bounds on error rates of estimation of low rank density…

Machine Learning · Statistics 2016-04-19 Vladimir Koltchinskii , Dong Xia

Mixed state ensembles such as the Bures-Hall and Hilbert-Schmidt measure are probability distributions that characterise the statistical properties of random density matrices and can be used to determine the typical features of mixed…

Quantum Physics · Physics 2026-03-31 Harry J. D. Miller

In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…

Materials Science · Physics 2010-10-19 Michele Ceriotti , Thomas D. Kühne , Michele Parrinello

In this study, we investigate the problem of determining the maximum purity for absolutely separable and absolutely PPT quantum states. From the geometric viewpoint, this problem is equivalent to asking for the exact Euclidean radius of the…

Mathematical Physics · Physics 2025-10-23 Hoang Phi Dung , Vu The Khoi

In quantum statistical mechanics, it is of fundamental interest to understand how close the bipartite entanglement entropy of eigenstates of quantum chaotic Hamiltonians is to maximal. For random pure states in the Hilbert space, the…

Statistical Mechanics · Physics 2017-11-30 Lev Vidmar , Marcos Rigol

In this work, we show how to parameterize a density matrix that has an arbitrary symmetry, knowing the generators of the Lie algebra (if the symmetry group is a connected Lie group) or the generators of its underlying group (in case it is…

Quantum Physics · Physics 2023-01-25 Inés Corte , Marcelo Losada , Diego Tielas , Federico Holik , Lorena Rebón

We consider a geometrization, i.e., we identify geometrical structures, for the space of density states of a quantum system. We also provide few comments on a possible application of this geometrization for composite systems.

Quantum Physics · Physics 2009-11-11 V. I. Man'ko , G. Marmo , E. C. G. Sudarshan , F. Zaccaria

We discuss the concept of connection states (or connection matrices) that describe posterior ensembles, post-selected according to the outcomes of a quantum measurement. Connection matrices allow one to obtain results of any weak and some…

Quantum Physics · Physics 2013-08-02 Abraham G. Kofman , Sahin K. Ozdemir , Franco Nori

In this study the determinant of the average quadratic error matrix is used as the measure of state estimation efficiency. This quantity is easily computable in some cases, so it gives us a reasonable tool to find optimal measurement setup…

Quantum Physics · Physics 2012-01-10 Denes Petz , Laszlo Ruppert

An expansion method for perturbation of the zero temperature grand canonical density matrix is introduced. The method achieves quadratically convergent recursions that yield the response of the zero temperature density matrix upon variation…

Materials Science · Physics 2009-11-10 Anders M. N. Niklasson , Matt Challacombe

We introduce the concept of a physical process that purifies a mixed quantum state, taken from a set of states, and investigate the conditions under which such a purification map exists. Here, a purification of a mixed quantum state is a…

Quantum Physics · Physics 2007-05-23 M. Kleinmann , H. Kampermann , T. Meyer , D. Bruss

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…

Quantum Physics · Physics 2025-09-19 Kaito Wada , Jumpei Kato , Hiroyuki Harada , Naoki Yamamoto