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We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of coupled-cluster theory with single and double excitations…

Strongly Correlated Electrons · Physics 2019-10-01 Tianyu Zhu , Carlos A. Jimenez-Hoyos , James McClain , Timothy C. Berkelbach , Garnet Kin-Lic Chan

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help understand condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for…

Strongly Correlated Electrons · Physics 2016-12-21 A. Nocera , G. Alvarez

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 present a construction of a matrix product state (MPS) that approximates the largest-eigenvalue eigenvector of a transfer matrix T, for the purpose of rapidly performing the infinite system density matrix renormalization group (DMRG)…

Statistical Mechanics · Physics 2010-05-20 Kouji Ueda , Tomotoshi Nishino , Kouichi Okunishi , Yasuhiro Hieida , Rene Derian , Andrej Gendiar

We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the…

Strongly Correlated Electrons · Physics 2007-05-23 C. J. Bolech , S. S. Kancharla , G. Kotliar

We present a new impurity solver for dynamical mean-field theory based on imaginary-time evolution of matrix product states. This converges the self-consistency loop on the imaginary-frequency axis and obtains real-frequency information in…

Strongly Correlated Electrons · Physics 2015-11-30 F. Alexander Wolf , Ara Go , Ian P. McCulloch , Andrew J. Millis , Ulrich Schollwöck

The density-matrix renormalization group (DMRG) method, which can deal with a large active space composed of tens of orbitals, is nowadays widely used as an efficient addition to traditional complete active space (CAS)-based approaches. In…

Strongly Correlated Electrons · Physics 2016-11-06 Yingjin Ma , Jing Wen , Haibo Ma

Exact diagonalization is a powerful tool to study fractional quantum Hall (FQH) systems. However, its capability is limited by the exponentially increasing computational cost. In order to overcome this difficulty,…

Strongly Correlated Electrons · Physics 2015-10-01 Zhao Liu , R. N. Bhatt

During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. The underlying matrix product state (MPS) ansatz is a low-rank decomposition of the full…

Strongly Correlated Electrons · Physics 2014-05-22 Sebastian Wouters

We introduce an efficient method to calculate the ground state of one-dimensional lattice models with periodic boundary conditions. The method works in the representation of Matrix Product States (MPS), related to the Density Matrix…

Strongly Correlated Electrons · Physics 2010-02-16 Peter Pippan , Steven R. White , Hans Gerd Evertz

In this paper we use a contour integral method to derive a generating function in the form of a double series involving the product of two Chebyshev polynomials over generalized independent indices expressed in terms of the incomplete gamma…

General Mathematics · Mathematics 2022-10-28 Robert Reynolds , Allan Stauffer

The Density Matrix Renormalization Group (DMRG) is a state-of-the-art numerical technique for a one dimensional quantum many-body system; but calculating accurate results for a system with Periodic Boundary Condition (PBC) from the…

Strongly Correlated Electrons · Physics 2016-11-29 Dayasindhu Dey , Debasmita Maiti , Manoranjan Kumar

The generalization of matrix product states (MPS) to continuous systems, as proposed in the breakthrough paper [F. Verstraete, J.I. Cirac, Phys. Rev. Lett. 104, 190405(2010)], provides a powerful variational ansatz for the ground state of…

Strongly Correlated Electrons · Physics 2017-06-07 Martin Ganahl , Julian Rincon , Guifre Vidal

We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary…

Strongly Correlated Electrons · Physics 2013-06-11 D. Rost , F. Assaad , N. Blümer

The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation. In the fields of condensed matter, nuclear structure and molecular…

Strongly Correlated Electrons · Physics 2014-04-21 Sebastian Wouters , Ward Poelmans , Paul W. Ayers , Dimitri Van Neck

Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the…

Strongly Correlated Electrons · Physics 2020-04-22 Katharine Hyatt , E. M. Stoudenmire

During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. Its underlying wavefunction ansatz, the matrix product state (MPS), is a low-rank decomposition of…

Chemical Physics · Physics 2014-09-25 Sebastian Wouters , Dimitri Van Neck

We propose a density matrix renormalization group (DMRG) technique at finite temperatures. As is the case of the ground state DMRG, we use a single-target state that is calculated by making use of a regulated polynomial expansion. Both…

Strongly Correlated Electrons · Physics 2009-03-09 Shigetoshi Sota , Takami Tohyama

We introduce \textbf{Chebyshev Moment Regularization (CMR)}, a simple, architecture-agnostic loss that directly optimizes layer spectra. CMR jointly controls spectral edges via a log-condition proxy and shapes the interior via Chebyshev…

Machine Learning · Computer Science 2025-10-28 Jinwoo Baek

Matrix product states (MPS) and matrix product operators (MPOs) are one dimensional tensor networks that underlie the modern density matrix renormalization group (DMRG) algorithm. The use of MPOs accounts for the high level of generality…

Strongly Correlated Electrons · Physics 2020-05-27 Matthew J. O'Rourke , Garnet Kin-Lic Chan