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Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate ground-state energies for small molecules can be evaluated…

A determination of the excited energy eigenstates of the nucleon, $s=c{1}{2}$, $I={1}{2}$, $N^{\pm}$, is presented in full QCD using 2+1 flavor PACS-CS gauge configurations. The correlation-matrix method is used and is built using standard…

High Energy Physics - Lattice · Physics 2013-06-26 M. Selim Mahbub , Waseem Kamleh , Derek B. Leinweber , Peter J. Moran , Anthony G. Williams

Based on the scheme of variational Monte Carlo sampling, we develop an accurate and efficient two-dimensional tensor-network algorithm to simulate quantum lattice models. We find that Monte Carlo sampling shows huge advantages in dealing…

Strongly Correlated Electrons · Physics 2021-06-28 Wen-Yuan Liu , Yi-Zhen Huang , Shou-Shu Gong , Zheng-Cheng Gu

Tensor networks are used to efficiently approximate states of strongly-correlated quantum many-body systems. More generally, tensor network approximations may allow to reduce the costs for operating on an order-$N$ tensor from exponential…

Strongly Correlated Electrons · Physics 2022-05-31 Hao Chen , Thomas Barthel

The hierarchical equations of motion (HEOM) method is a numerically exact open quantum system dynamics approach. The method is rooted in an exponential expansion of the bath correlation function, which in essence strategically reshapes a…

Chemical Physics · Physics 2023-06-14 Yaling Ke

An accurate calculation of the properties of quantum many-body systems is one of the most important yet intricate challenges of modern physics and computer science. In recent years, the tensor network ansatz has established itself as one of…

Quantum Physics · Physics 2020-01-08 Jonas Haferkamp , Dominik Hangleiter , Jens Eisert , Marek Gluza

The goal of this presentation is to highlight various computational techniques used to study dynamics of quantum many-body systems. We examine the projection and variable phase methods being applied to multi-channel problems of scattering…

Nuclear Theory · Physics 2014-12-22 Alexander Volya

Computing the excited states of a given Hamiltonian is computationally hard for large systems, but methods that do so using quantum computers scale tractably. This problem is equivalent to the PCA problem where we are interested in…

Quantum Physics · Physics 2025-03-19 David Quiroga , Jason Han , Anastasios Kyrillidis

We present applications of the renormalization algorithm with graph enhancement (RAGE). This analysis extends the algorithms and applications given for approaches based on matrix product states introduced in [Phys. Rev. A 79, 022317 (2009)]…

Quantum Physics · Physics 2015-03-17 R. Hübener , C. Kruszynska , L. Hartmann , W. Dür , M. B. Plenio , J. Eisert

A quantum Monte Carlo method is introduced to optimize excited state trial wavefunctions. The method is applied in a correlation function Monte Carlo calculation to compute ground and excited state energies of bosonic van der Waals clusters…

Computational Physics · Physics 2009-11-06 M. P. Nightingale , Vilen Melik-Alaverdian

Mixed state entanglement measures can act as a versatile probes of many-body systems. However, they are generally hard to compute, often relying on tricky optimizations. One measure that is straightforward to compute is the logarithmic…

Quantum Physics · Physics 2018-09-07 Johnnie Gray

An augmented tree tensor network (aTTN) is a tensor network ansatz constructed by applying a layer of unitary disentanglers to a tree tensor network. The disentanglers absorb a part of the system's entanglement. This makes aTTNs suitable…

Quantum Physics · Physics 2025-07-30 Nora Reinić , Luka Pavešić , Daniel Jaschke , Simone Montangero

We investigate the multi-particle states of the (1+1)-dimensional Ising model using a spectroscopy scheme based on the tensor renormalization group method. We start by computing the finite-volume energy spectrum of the model from the…

High Energy Physics - Lattice · Physics 2026-02-17 Fathiyya Izzatun Az-zahra , Shinji Takeda , Takeshi Yamazaki

The computational investigation of photochemical processes often entails the calculation of excited state geometries, energies, and energy gradients. The nuclear-electronic orbital (NEO) approach treats specified nuclei, typically protons,…

Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…

Chemical Physics · Physics 2025-05-20 Nicola Bogo , Zeyi Zhang , Martin Head-Gordon , Christopher J. Stein

The concept of metastability has caused a lot of interest in recent years. The spectral decomposition of the generator matrix of a stochastic network exposes all of the transition processes in the system. The assumption of the existence of…

Spectral Theory · Mathematics 2014-03-24 Maria K. Cameron

Open many-body quantum systems play an important role in quantum optics and condensed-matter physics, and capture phenomena like transport, interplay between Hamiltonian and incoherent dynamics, and topological order generated by…

Quantum Physics · Physics 2016-06-15 A. H. Werner , D. Jaschke , P. Silvi , M. Kliesch , T. Calarco , J. Eisert , S. Montangero

In recent years, neural quantum states have emerged as a powerful variational approach, achieving state-of-the-art accuracy when representing the ground-state wave function of a great variety of quantum many-body systems, including spin…

Quantum Physics · Physics 2025-06-18 Zakari Denis , Giuseppe Carleo

Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…

Disordered Systems and Neural Networks · Physics 2024-08-19 Matija Medvidović , Javier Robledo Moreno

These lecture notes provide a brief overview of methods of entanglement theory applied to the study of quantum many-body systems, as well as of tensor network states capturing quantum states naturally appearing in condensed-matter systems.

Quantum Physics · Physics 2013-10-07 J. Eisert