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The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often…

Chemical Physics · Physics 2024-03-12 Nicole M. Braunscheidel , Arnab Bachhar , Nicholas J. Mayhall

This paper presents iterative methods for solving tensor equations involving the T-product. The proposed approaches apply tensor computations without matrix construction. For each initial tensor, these algorithms solve related problems in a…

Numerical Analysis · Mathematics 2025-04-28 Malihe Nobakht Kooshkghazi , Salman Ahmadi-Asl , Hamidreza Afshin

Interacting single-level quantum dot connected to BCS superconducting leads represents a well-controllable system to study the interplay between the correlation effects and the electron pairing that can result in a $0-\pi$ (singlet-doublet)…

Mesoscale and Nanoscale Physics · Physics 2021-04-07 Vladislav Pokorný , Tomáš Novotný

We present a diagrammatic Monte Carlo method for quantum impurity problems with general interactions and general hybridization functions. Our method uses a recursive determinant scheme to sample diagrams for the scattering amplitude. Unlike…

Strongly Correlated Electrons · Physics 2020-08-13 Jia Li , Markus Wallerberger , Emanuel Gull

Tensor networks (TNs) are a central computational tool in quantum science and artificial intelligence. However, the lack of unified software interface across tensor-computing frameworks severely limits the portability of TN applications,…

Quantum Physics · Physics 2026-01-01 Rong-Yang Sun , Tomonori Shirakawa , Hidehiko Kohshiro , D. N. Sheng , Seiji Yunoki

The diagramatic Monte Carlo method has so far been primarily used in connection with the weak coupling expansion. Here we show that the strong coupling expansion offers a significant advantage: it can be efficiently implemented on both the…

Strongly Correlated Electrons · Physics 2023-11-17 Kristjan Haule

Quantum impurities can host exotic many-body states that serve as sensitive probes of bath correlations. However, quantitative and non-perturbative methods for determining impurity thermodynamics in such settings remain scarce. Here, we…

Strongly Correlated Electrons · Physics 2026-01-09 Tao Yang , Z. Y. Xie , Rui Wang , Baigeng Wang

We present a numerically exact Inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign…

Strongly Correlated Electrons · Physics 2020-05-25 Eitan Eidelstein , Emanuel Gull , Guy Cohen

A new unbiased Monte Carlo technique called Tensor Network Monte Carlo (TNMC) is introduced based on sampling all possible renormalizations (or course-grainings) of tensor networks, in this case matrix-product states. Tensor networks are a…

Statistical Mechanics · Physics 2015-07-06 Andrew J. Ferris

In this paper, we consider the tensor completion problem representing the solution in the tensor train (TT) format. It is assumed that tensor is high-dimensional, and tensor values are generated by an unknown smooth function. The assumption…

Numerical Analysis · Mathematics 2020-08-27 Yermek Kapushev , Ivan Oseledets , Evgeny Burnaev

In this work, we introduce an interior-point method that employs tensor decompositions to efficiently represent and manipulate the variables and constraints of semidefinite programs, targeting problems where the solutions may not be…

Optimization and Control · Mathematics 2025-09-16 Frederik Kelbel , Sergey Dolgov , Dante Kalise , Alessandra Russo

When combined with highly expressive ansatz functions such as neural quantum states, variational Monte Carlo (VMC) constitutes a versatile numerical approach to tackle the quantum many-body problem in and out of equilibrium. However, its…

Quantum Physics · Physics 2026-05-06 Wladislaw Krinitsin , Markus Schmitt

We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…

Chemical Physics · Physics 2022-05-26 Abdallah Ammar , Emmanuel Giner , Anthony Scemama

We present a continuous-time Monte Carlo method for quantum impurity models, which combines a weak-coupling expansion with an auxiliary-field decomposition. The method is considerably more efficient than Hirsch-Fye and free of time…

Strongly Correlated Electrons · Physics 2008-06-02 Emanuel Gull , Philipp Werner , Olivier Parcollet , Matthias Troyer

A continuous-time path integral Quantum Monte Carlo method using the directed-loop algorithm is developed to simulate the Anderson single-impurity model in the occupation number basis. Although the method suffers from a sign problem at low…

Strongly Correlated Electrons · Physics 2009-11-10 Jaebeom Yoo , Shailesh Chandrasekharan , Harold U. Baranger

We consider the problem of low-rank decomposition of incomplete multiway tensors. Since many real-world data lie on an intrinsically low dimensional subspace, tensor low-rank decomposition with missing entries has applications in many data…

Numerical Analysis · Computer Science 2016-08-24 Linxiao Yang , Jun Fang , Hongbin Li , Bing Zeng

Solving the Anderson impurity model typically involves a two-step process, where one first calculates the ground state of the Hamiltonian, and then computes its dynamical properties to obtain the Green's function. Here we propose a hybrid…

Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a novel tensor network approach that reformulates the…

Strongly correlated quantum impurity problems appear in a wide variety of contexts ranging from nanoscience and surface physics to material science and the theory of strongly correlated lattice models, where they appear as auxiliary systems…

Strongly Correlated Electrons · Physics 2013-02-19 Hartmut Hafermann , Philipp Werner , Emanuel Gull

The polaron problem is a very old problem in condensed matter physics that dates back to the thirties, but still remain largely unsolved today, especially when electron-electron interaction is taken into consideration. The presence of both…

Quantum Physics · Physics 2025-07-21 Ruofan Chen , Lei Gu , Chu Guo