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In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…

Chemical Physics · Physics 2016-11-15 Libor Veis , Andrej Antalík , Jiří Brabec , Frank Neese , Örs Legeza , Jiří Pittner

The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-26 Ryan Levy , Edgar Solomonik , Bryan K. Clark

We present a tree-tensor-network-based method to study strongly correlated systems with nonlocal interactions in higher dimensions. Although the momentum-space and quantum-chemistry versions of the density matrix renormalization group…

Strongly Correlated Electrons · Physics 2010-11-08 Valentin Murg , Örs Legeza , Reinhard M. Noack , Frank Verstraete

Tensor Networks are non-trivial representations of high-dimensional tensors, originally designed to describe quantum many-body systems. We show that Tensor Networks are ideal vehicles to connect quantum mechanical concepts to machine…

High Energy Physics - Phenomenology · Physics 2021-09-09 Jack Y. Araz , Michael Spannowsky

We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…

Chemical Physics · Physics 2017-10-24 Stefano Battaglia , Sebastian Keller , Stefan Knecht

Quantum computing offers the potential for computational abilities that can go beyond classical machines. However, they are still limited by several challenges such as noise, decoherence, and gate errors. As a result, efficient classical…

Quantum Physics · Physics 2025-09-01 Aditya Dubey , Zeki Zeybek , Peter Schmelcher

The recently proposed Clifford augmented density matrix renormalization group (CA-DMRG) method seamlessly integrates Clifford circuits with matrix product states, and takes advantage of the expression power from both. CA-DMRG has been shown…

Quantum Physics · Physics 2025-11-14 Lizhong Fu , Honghui Shang , Jinlong Yang , Chu Guo

The density matrix renormalization group (DMRG) is a numerical method that optimizes a variational state expressed by a tensor product. We show that the ground state is not fully optimized as far as we use the standard finite system…

Statistical Mechanics · Physics 2010-05-20 H. Takasaki , T. Hikihara , T. Nishino

Density Matrix Renormalization Group (DMRG) or Matrix Product States (MPS) are widely acknowledged as highly effective and accurate methods for solving one-dimensional quantum many-body systems. However, the direct application of DMRG to…

Strongly Correlated Electrons · Physics 2024-11-25 Xiangjian Qian , Jiale Huang , Mingpu Qin

We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…

Strongly Correlated Electrons · Physics 2025-08-11 Ting-Tung Wang , Xiaoxue Ran , Zi Yang Meng

The density-matrix renormalization group (DMRG) is a numerical algorithm for the efficient truncation of the Hilbert space of low-dimensional strongly correlated quantum systems based on a rather general decimation prescription. This…

Strongly Correlated Electrons · Physics 2009-11-10 Ulrich Schollwoeck

The density matrix renormalization group (DMRG) of White 1992 remains to this day an integral component of many state-of-the-art methods for efficiently simulating strongly correlated quantum systems. In quantum chemistry, QC-DMRG became a…

Quantum Physics · Physics 2021-03-16 Mazen Ali

The density-matrix renormalization group method (DMRG) has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. In the…

Strongly Correlated Electrons · Physics 2011-01-04 Ulrich Schollwoeck

The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic…

Chemical Physics · Physics 2024-11-13 Nicholas Bauman , Libor Veis , Karol Kowalski , Jiri Brabec

We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…

Chemical Physics · Physics 2017-08-02 E. Miles Stoudenmire , Steven R. White

Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space…

Chemical Physics · Physics 2024-12-11 Pavlo Golub , Chao Yang , Vojtěch Vlček , Libor Veis

In the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very different from that of traditional electronic structure…

Computational Physics · Physics 2020-02-18 Alberto Baiardi , Markus Reiher

We have studied transition metal clusters from a quantum information theory perspective using the density-matrix renormalization group (DMRG) method. We demonstrate the competition between entanglement and interaction localization. We also…

Quantum Physics · Physics 2015-05-19 G. Barcza , Ö. Legeza , K. H. Marti , M. Reiher

We optimize matrix-product state-based algorithms for simulating quantum circuits with finite fidelity, specifically the time-evolving block decimation (TEBD) and the density-matrix renormalization group (DMRG) algorithms, by exploiting the…

We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…

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