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A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited…

Computational Physics · Physics 2022-11-09 Aleksei V. Ivanov , Gianluca Levi , Elvar Ö. Jónsson , Hannes Jónsson

We discuss techniques of the density matrix renormalization group and their application to interacting fermion systems in more than one dimension. We show numerical results for equal--time spin--spin and singlet pair field correlation…

Condensed Matter · Physics 2007-05-23 R. M. Noack , S. R. White , D. J. Scalapino

We investigate the spectral and localization properties of unmagnetized Heisenberg-Mattis spin glasses, in space dimensionalities $d=2$ and 3, at T=0. We use numerical transfer-matrix methods combined with finite-size scaling to calculate…

Statistical Mechanics · Physics 2007-05-23 S. L. A. de Queiroz , R. B. Stinchcombe

The integrated density of states (IDS) is a fundamental spectral quantity for quantum Hamiltonians modeling condensed matter systems, describing how densely energy levels are distributed. It can be interpreted as a volume-averaged spectral…

Statistics Theory · Mathematics 2026-02-23 Max Kämper , Christoph Schumacher , Fabian Schwarzenberger , Ivan Veselic

When working with quantum states, analysis of the final quantum state generated through probabilistic measurements is essential. This analysis is typically conducted by constructing the density matrix from either partial or full tomography…

Quantum Physics · Physics 2025-01-14 Rohit Prasad , Pratyay Ghosh , Ronny Thomale , Tobias Huber-Loyola

We present a new tensor network algorithm for calculating the partition function of interacting quantum field theories in 2 dimensions. It is based on the Tensor Renormalization Group (TRG) protocol, adapted to operate entirely at the level…

Quantum Physics · Physics 2021-11-24 Manuel Campos , German Sierra , Esperanza Lopez

We show that the functional renormalization group is a numerically cheap method to obtain the low-energy behavior of the Anderson impurity model describing a localized interacting electron coupled to a bath of conduction electrons. Our…

Strongly Correlated Electrons · Physics 2013-05-23 Simon Streib , Aldo Isidori , Peter Kopietz

A detailed analysis of density-functional theory for quantum-electrodynamical model systems is provided. In particular, the quantum Rabi model, the Dicke model, and a generalization of the latter to multiple modes are considered. We prove a…

Mathematical Physics · Physics 2025-04-24 Vebjørn H. Bakkestuen , Mihály A. Csirik , Andre Laestadius , Markus Penz

This article examines large time behaviour of finite state mean-field interacting particle systems. Our first main result is a sharp estimate (in the exponential scale) on the time required for convergence of the empirical measure process…

Probability · Mathematics 2021-03-02 Sarath Yasodharan , Rajesh Sundaresan

We derive an expression for a density operator estimated via Bayesian quantum inference in the limit of an infinite number of measurements. This expression is derived under the assumption that the reconstructed system is in a pure state. In…

Quantum Physics · Physics 2016-09-08 R. Derka , V. Buzek , G. Adam , P. L. Knight

Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

We present singular value decomposition of spin correlation matrix defined from the ground state of one-dimensional antiferromagnetic quantum Heisenberg model. The decomposition creates a data set that coincides with various domain…

Quantum Physics · Physics 2021-04-14 Kohei Ohgane , Tatsuya Kumamoto , Hiroaki Matsueda

Wishart correlation matrices are the standard model for the statistical analysis of time series. The ensemble averaged eigenvalue density is of considerable practical and theoretical interest. For complex time series and correlation…

Mathematical Physics · Physics 2011-01-28 Christian Recher , Mario Kieburg , Thomas Guhr

We study the problem of estimating the spectral density of a centered stationary Gaussian time series under local differential privacy constraints. Specifically, we propose new interactive privacy mechanisms for three tasks: recovering a…

Statistics Theory · Mathematics 2026-03-17 Cristina Butucea , Karolina Klockmann , Tatyana Krivobokova

We analytically construct the wave function that, for a given initial state, produces a prescribed density for a quantum ring with two non-interacting particles in a singlet state. In this case the initial state is completely determined by…

Strongly Correlated Electrons · Physics 2013-08-23 M. Ruggenthaler , S. E. B. Nielsen , R. van Leeuwen

Understanding the asymptotic behavior of physical quantities in the thermodynamic limit is a fundamental problem in statistical mechanics. In this paper, we study how fast the eigenstate expectation values of a local operator converge to a…

Mathematical Physics · Physics 2023-07-04 Yichen Huang

Due to the exponential growth of the state space of coupled quantum systems it is not possible, in general, to numerically store the state of a very large number of quantum systems within a classical computer. We demonstrate a method for…

Quantum Physics · Physics 2017-02-07 J. J. Bowen , V. M. Dwyer , I. W. Phillips , M. J. Everitt

We present an efficient method for estimating the eigenvalues of a Hamiltonian $H$ from the expectation values of the evolution operator for various times. For a given quantum state $\rho$, our method outputs a list of eigenvalue estimates…

Quantum Physics · Physics 2020-09-08 Rolando D. Somma

We provide a brief overview of approaches for calculating the density of states of quantum systems and random matrix Hamiltonians using the tools of free probability theory. For a given Hamiltonian of a quantum system or a generic random…

Quantum Physics · Physics 2025-12-04 Keun-Young Kim , Kuntal Pal

Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce…

Quantum Physics · Physics 2026-02-06 Oskar Leimkuhler , K. Birgitta Whaley