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The accurate modeling of spin-orbit coupling (SOC) effects in diverse complex systems remains a significant challenge due to the high computational demands of density functional theory (DFT) and the limited transferability of existing…

Materials Science · Physics 2025-04-29 Yang Zhong , Rui Wang , Xingao Gong , Hongjun Xiang

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

Exact diagonalization is a well-established method for simulating small quantum systems. Its applicability is limited by the exponential growth of the so-called Hamiltonian matrix that needs to be diagonalized. Physical symmetries are…

Computational Physics · Physics 2023-09-01 Tom Westerhout , Bradford L. Chamberlain

The canonical quantum Hamiltonian eigenvalue problem for an anharmonic oscillator with a Lagrangian L = \dot{\phi}^2/2 - m^2 \phi^2/2 - g m^3 \phi^4 is numerically solved in two ways. One of the ways uses a plain cutoff on the number of…

Quantum Physics · Physics 2013-02-07 Krzysztof Piotr Wójcik

Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular…

Chemical Physics · Physics 2021-08-24 Pavel Pokhilko , Dominika Zgid

The exactly and quasi-exactly solvable problems for spin one-half in one dimension on the basis of a hidden dynamical symmetry algebra of Hamiltonian are discussed. We take the supergroup, $OSP(2|1)$, as such a symmetry. A number of exactly…

High Energy Physics - Theory · Physics 2015-06-26 A. Shafiekhani , M. Khorrami

We present a new methodology to solve the Anderson impurity model, in the context of dynamical mean-field theory, based on the exact diagonalization method. We propose a strategy to effectively refine the exact diagonalization solver by…

Strongly Correlated Electrons · Physics 2015-03-09 C. Weber , A. Amaricci , M. Capone , P. B. Littlewood

Non-Hermitian systems exhibiting topological properties are attracting growing interest. In this work, we propose an algorithm for solving the ground state of a non-Hermitian system in the matrix product state (MPS) formalism based on a…

Quantum Physics · Physics 2022-10-27 Zhen Guo , Zheng-Tao Xu , Meng Li , Li You , Shuo Yang

Computing ground states of local Hamiltonians is a fundamental problem in condensed matter physics. We give the first randomized polynomial-time algorithm for finding ground states of gapped one-dimensional Hamiltonians: it outputs an…

Quantum Physics · Physics 2013-07-22 Zeph Landau , Umesh Vazirani , Thomas Vidick

We investigate a U(1) gauge invariant quantum mechanical system on a 2D noncommutative space with coordinates generating a generalized deformed oscillator algebra. The Hamiltonian is taken as a quadratic form in gauge covariant derivatives…

High Energy Physics - Theory · Physics 2008-11-26 Sergey M. Klishevich , Mikhail S. Plyushchay

. The choice of a suitable random matrix model of a complex system is very sensitive to the nature of its complexity. The statistical spectral analysis of various complex systems requires, therefore, a thorough probing of a wide range of…

Statistical Mechanics · Physics 2009-10-31 Pragya Shukla

We present a method for obtaining efficient probabilistic solutions to geostatistical and linear inverse problems in spherical geometry. Our Spherical Direct Sequential Simulation (SDSSIM) framework combines information from possibly noisy…

Geophysics · Physics 2022-04-08 Mikkel Otzen , Christopher C. Finlay , Thomas Mejer Hansen

A complete classification of 2D superintegrable systems on two-dimensional conformally flat spaces has been performed over the years and 58 models, divided into 12 equivalence classes, have been obtained. We will re-examine two…

Mathematical Physics · Physics 2023-07-20 Ian Marquette , Christiane Quesne

We present a suite of "holographic" quantum algorithms for efficient ground-state preparation and dynamical evolution of correlated spin-systems, which require far-fewer qubits than the number of spins being simulated. The algorithms…

We present a diagonalization method for generic matrix valued Hamiltonians based on a formal expansion in power of $\hbar $. Considering $\hbar $ as a running parameter, a differential equation connecting two diagonalization processes for…

Mesoscale and Nanoscale Physics · Physics 2008-11-26 Pierre Gosselin , Jocelyn Hanssen , Herve Mohrbach

We study a matrix product state (MPS) algorithm to approximate excited states of translationally invariant quantum spin systems with periodic boundary conditions. By means of a momentum eigenstate ansatz generalizing the one of \"Ostlund…

Quantum Physics · Physics 2012-02-06 Bogdan Pirvu , Jutho Haegeman , Frank Verstraete

The widely used large-scale diagonalization method using harmonic oscillator basis functions (an instance of the Rayleigh-Ritz method, also called a spectral method, configuration-interaction method, or ``exact diagonalization'' method) is…

Strongly Correlated Electrons · Physics 2009-04-14 Simen Kvaal , Morten Hjorth-Jensen , Halvor Moll Nilsen

We present Polfed$.$jl, an open-source Julia package implementing the Polynomially Filtered Exact Diagonalization (POLFED) algorithm for computing mid-spectrum eigenvalues and eigenvectors (shortly, eigenpairs) of quantum many-body…

A one-dimensional model of coupled spin-1/2 spins and pseudospin-1/2 orbitals with nearest-neighbor interaction is rigorously shown to exhibit spin-orbital separation by means of a non-local unitary transformation. On an open chain, this…

Strongly Correlated Electrons · Physics 2013-05-13 Brijesh Kumar

This work is a sequel to our work "The Spin Density Matrix I: General Theory and Exact Master Equations" (eprint arXiv:0708.0644 [cond-mat]). Here we compare pure- and pseudo-spin dynamics using as an example a system of two quantum dots, a…

Strongly Correlated Electrons · Physics 2009-11-13 Sharif D. Kunikeev , Daniel A. Lidar
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