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In Green's function theory, the total energy of an interacting many-electron system can be expressed in a variational form using the Klein or Luttinger-Ward functionals. Green's function theory also naturally addresses the case where the…

Materials Science · Physics 2025-08-26 Andrea Ferretti , Tommaso Chiarotti , Nicola Marzari

Based on direct integrals, a framework allowing to integrate a parametrised family of reproducing kernels with respect to some measure on the parameter space is developed. By pointwise integration, one obtains again a reproducing kernel…

Functional Analysis · Mathematics 2012-02-21 Thomas Hotz , Fabian J. E. Telschow

Path integral Monte Carlo with Green's function analysis allows the sampling of quantum mechanical properties of molecules at finite temperature. While a high-precision computation of the energy of the Born-Oppenheimer surface from path…

Quantum Physics · Physics 2007-05-23 Daejin Shin , Ming-Chak Ho , J. Shumway

Quantum kernel methods leverage a kernel function computed by embedding input information into the Hilbert space of a quantum system. However, large Hilbert spaces can hinder generalization capability, and the scalability of quantum kernels…

Quantum Physics · Physics 2024-04-16 Rodrigo Martínez-Peña , Miguel C. Soriano , Roberta Zambrini

We propose a bilinear sampling algorithm in Green's function Monte Carlo for expectation values of operators that do not commute with the Hamiltonian and for differences between eigenvalues of different Hamiltonians. The integral…

Condensed Matter · Physics 2010-01-12 Shiwei Zhang , M. H. Kalos

We propose an improved quantum algorithm to calculate the Green's function through real-time propagation, and use it to compute the retarded Green's function for the 2-, 3- and 4-site Hubbard models. This novel protocol significantly…

Quantum Physics · Physics 2022-10-21 Francesco Libbi , Jacopo Rizzo , Francesco Tacchino , Nicola Marzari , Ivano Tavernelli

Implicit neural representations (INRs), which leverage neural networks to represent signals by mapping coordinates to their corresponding attributes, have garnered significant attention. They are extensively utilized for image…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Sheng Zheng , Chaoning Zhang , Dongshen Han , Fachrina Dewi Puspitasari , Xinhong Hao , Yang Yang , Heng Tao Shen

The temperature-dependent Matsubara Green's function that is used to describe temperature-dependent behavior is expressed on a numerical grid. While such a grid usually has a couple of hundred points for low-energy model systems, for…

Chemical Physics · Physics 2016-11-15 Alexei A. Kananenka , Jordan J. Phillips , Dominika Zgid

In kernel methods, temporal information on the data is commonly included by using time-delayed embeddings as inputs. Recently, an alternative formulation was proposed by defining a gamma-filter explicitly in a reproducing kernel Hilbert…

Machine Learning · Statistics 2017-06-13 Steven Van Vaerenbergh , Simone Scardapane , Ignacio Santamaria

We consider the problem of calculating the Green's functions associated to a massive scalar field with modified dispersion relations. We analyze the case when dispersion is modified by higher derivative spatial operators acting on the field…

General Relativity and Quantum Cosmology · Physics 2008-11-26 Massimiliano Rinaldi

Given a function from $\mathbb{Z}_n$ to itself one can determine its polynomial representability by using Kempner function. In this paper we present an alternative characterization of polynomial functions over $\mathbb{Z}_n$ by constructing…

Rings and Algebras · Mathematics 2015-02-16 Ashwin Guha , Ambedkar Dukkipati

This paper introduces a probability density estimator based on Green's function identities. A density model is constructed under the sole assumption that the probability density is differentiable. The method is implemented as a binary…

Machine Learning · Statistics 2012-08-22 Peter Kovesarki , Ian C. Brock , A. Elizabeth Nuncio Quiroz

Representing spectral densities, real-frequency, and real-time Green's functions of continuous systems by a small discrete set of complex poles is an ubiquitous problem in condensed matter physics, with applications ranging from quantum…

Strongly Correlated Electrons · Physics 2025-06-04 Lei Zhang , André Erpenbeck , Yang Yu , Emanuel Gull

The kernel mean embedding of probability distributions is commonly used in machine learning as an injective mapping from distributions to functions in an infinite dimensional Hilbert space. It allows us, for example, to define a distance…

Quantum Physics · Physics 2019-12-24 Jonas M. Kübler , Krikamol Muandet , Bernhard Schölkopf

Recently, a functional integral representation was proposed by Weller (Weller, W.: phys.~stat.~sol.~(b) {\bf 162}, 251 (1990)), in which the fermionic fields strictly satisfy the constraint of no double occupancy at each lattice site. This…

Condensed Matter · Physics 2009-10-22 R. Bulla , J. Keller , T. Pruschke

We present a general representation for solving problems in many-body perturbation theory. By projecting the single-particle Green's function to an auxiliary space we show how one can convert an arbitrary Feynman graph to a universal kernel…

Strongly Correlated Electrons · Physics 2025-11-05 Daria Gazizova , Rayan Farid , B. D. E. McNiven , I. Assi , Ethan G. Armstrong , J. P. F. LeBlanc

An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…

Strongly Correlated Electrons · Physics 2019-08-07 Taegeun Song , Hunpyo Lee

We present a worm sampling method for calculating one- and two-particle Green's functions using continuous-time quantum Monte Carlo simulations in the hybridization expansion (CT-HYB). Instead of measuring Green's functions by removing…

Strongly Correlated Electrons · Physics 2015-10-07 Patrik Gunacker , Markus Wallerberger , Emanuel Gull , Andreas Hausoel , Giorgio Sangiovanni , Karsten Held

In this paper, we present a new version of the $i$QIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo…

Computational Physics · Physics 2017-11-22 Li Huang

The real-time contour formalism for Green's functions provides time-dependent information of quantum many-body systems. In practice, the long-time simulation of systems with a wide range of energy scales is challenging due to both the…

Strongly Correlated Electrons · Physics 2022-10-04 Xinyang Dong , Emanuel Gull , Hugo U. R. Strand