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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

Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems -- the plane-wave method -- is a spectral method based on eigenfunction expansion, we formulate a spectral method…

Computational Physics · Physics 2016-03-08 Amartya S. Banerjee , Ryan S. Elliott , Richard D. James

Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression method. This method enables efficient compression of all…

Quantum Physics · Physics 2024-09-02 Rong-Yang Sun , Tomonori Shirakawa , Seiji Yunoki

The continuous matrix product state (cMPS) ansatz is a promising numerical tool for studying quantum many-body systems in continuous space. Although it provides a clean framework that allows one to directly simulate continuous systems, the…

Quantum Gases · Physics 2026-01-01 Wei Tang , Benoît Tuybens , Jutho Haegeman

We present a scalable single-particle framework to treat electronic correlation in molecules and materials motivated by Green's function theory. We derive a size-extensive Brillouin-Wigner perturbation theory from the single-particle…

Chemical Physics · Physics 2023-09-12 Christopher J. N. Coveney , David P. Tew

Quantum turbulence spans length scales from the system size $L$ to the healing length $\xi$, making direct numerical simulations (DNS) of the Gross-Pitaevskii (GP) equation computationally expensive when $L \gg \xi$. We present a matrix…

We introduce a new paradigm for scaling simulations with projected entangled-pair states (PEPS) for critical strongly-correlated systems, allowing for reliable extrapolations of PEPS data with relatively small bond dimensions $D$. The key…

Quantum Physics · Physics 2022-11-23 Bram Vanhecke , Juraj Hasik , Frank Verstraete , Laurens Vanderstraeten

Matrix product state techniques provide a very efficient way to numerically evaluate certain classes of quantum Hall wave functions that can be written as correlators in two-dimensional conformal field theories. Important examples are the…

Strongly Correlated Electrons · Physics 2018-05-08 Jonas A. Kjäll , Eddy Ardonne , Vatsal Dwivedi , Maria Hermanns , Thors Hans Hansson

Multiconfiguration pair-density functional theory (MC-PFDT) has previously been applied successfully to carry out ground-state and excited-state calculations. However, because it includes no interaction between electronic states, MC-PDFT…

A framework for Chebyshev spectral collocation methods for the numerical solution of functional and delay differential equations (FDEs and DDEs) is described. The framework combines interpolation via the barycentric resampling matrix with a…

Numerical Analysis · Mathematics 2024-08-15 Nicholas Hale

We propose a spectral method based on the implementation of Chebyshev polynomials to study a model of conservation laws on network. We avoid the Gibbs phenomenon near shock discontinuities by implementing a filter in the frequency space in…

Numerical Analysis · Mathematics 2023-05-26 Sabrina Francesca Pellegrino

In this article we investigate a problem within Dempster-Shafer theory where 2**q - 1 pieces of evidence are clustered into q clusters by minimizing a metaconflict function, or equivalently, by minimizing the sum of weight of conflict over…

Artificial Intelligence · Computer Science 2007-05-23 Mats Bengtsson , Johan Schubert

Recent work by Wu {\em et al.} [arXiv:1910.11011] proposed a numerical method, so-called matrix product operator-matrix product state (MPO-MPS) method, by which several types of quantum many-body wave functions, in particular, the projected…

Strongly Correlated Electrons · Physics 2020-04-29 Hui-Ke Jin , Hong-Hao Tu , Yi Zhou

Cluster Perturbation Theory (CPT) is a computationally economic method commonly used to estimate the momentum and energy resolved single-particle Green's function. It has been used extensively in direct comparisons with experiments that…

Strongly Correlated Electrons · Physics 2020-02-20 P. T. Raum , G. Alvarez , Thomas Maier , V. W. Scarola

We present a new wavefunction ansatz that combines the strengths of spin projection with the language of matrix product states (MPS) and matrix product operators (MPO) as used in the density matrix renormalization group (DMRG).…

Chemical Physics · Physics 2017-05-05 Zhendong Li , Garnet Kin-Lic Chan

Semidefinite programs (SDPs) are powerful theoretical tools that have been studied for over two decades, but their practical use remains limited due to computational difficulties in solving large-scale, realistic-sized problems. In this…

Optimization and Control · Mathematics 2018-05-15 Richard Y. Zhang , Javad Lavaei

We explore various ways to group orbitals into clusters in a matrix product state (MPS). We explain how a generic cluster MPS can often lead to an increase in computational cost and instead propose a special cluster structure, involving…

Chemical Physics · Physics 2022-10-03 Henrik R. Larsson , Huanchen Zhai , Klaas Gunst , Garnet Kin-Lic Chan

Matrix Product State (MPS) wavefunctions have many applications in quantum information and condensed matter physics. One application is to represent states in the thermodynamic limit directly, using a small set of position independent…

Statistical Mechanics · Physics 2010-08-30 L. Michel , I. P. McCulloch

Clifford circuits Augmented Matrix Product States (CAMPS) was recently proposed to leverage the advantages of both Clifford circuits and Matrix Product States (MPS). Clifford circuits can support large entanglement and can be efficiently…

Strongly Correlated Electrons · Physics 2025-01-03 Jiale Huang , Xiangjian Qian , Mingpu Qin

The proliferation of quantum fluctuations and long-range entanglement presents an outstanding challenge for the numerical simulation of interacting spin systems with exotic ground states. Here, we present a toolset of Chebyshev…

Strongly Correlated Electrons · Physics 2024-02-28 Francisco M. O. Brito , Aires Ferreira