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Related papers: Coupled cluster Green's function-Past, Present, an…

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The basic mathematical properties of Green's functions used in statistical mechanics as well as the equations defining these functions and the techniques of solving these equations are reviewed. An approach is presented called the…

Statistical Mechanics · Physics 2007-05-23 V. I. Yukalov

We demonstrate that the effective Hamiltonians obtained with the downfolding procedure based on double unitary coupled cluster (DUCC) ansatz can be used in the context of Greens function coupled cluster (GFCC) formalism to calculate…

Computational Physics · Physics 2020-12-02 Nicholas P Bauman , Bo Peng , Karol Kowalski

Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Due to the complexity in many-electron…

Within the self-energy embedding theory (SEET) framework, we study coupled cluster Green's function (GFCC) method in two different contexts: as a method to treat either the system or environment present in the embedding construction. Our…

Chemical Physics · Physics 2022-07-05 Avijit Shee , Chia-Nan Yeh , Dominika Zgid

An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…

Atomic Physics · Physics 2019-04-30 Sambhu N. Datta

The development of AI applications, especially in large-scale wireless networks, is growing exponentially, alongside the size and complexity of the architectures used. Particularly, machine learning is acknowledged as one of today's most…

Machine Learning · Computer Science 2024-09-24 Dipanwita Thakur , Antonella Guzzo , Giancarlo Fortino , Francesco Piccialli

A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Albrecht , A. Schnurpfeil , G. Cuniberti

In this paper, we summarize the technique of using Green functions to solve electrostatic problems. We start by deriving the electric potential in terms of a Green function and a charge distribution. We then provide a variety of example…

Classical Physics · Physics 2022-04-29 Y. F. Alam , A. Behne , W. S. Chisholm , J. Compton

Nonequilibrium Green's functions represent underutilized means of studying the time evolution of quantum many-body systems. In view of a rising computer power, an effort is underway to apply the Green's functions formalism to the dynamics…

Nuclear Theory · Physics 2008-11-26 Arnau Rios , Pawel Danielewicz

Functional data clustering is to identify heterogeneous morphological patterns in the continuous functions underlying the discrete measurements/observations. Application of functional data clustering has appeared in many publications across…

Methodology · Statistics 2022-10-04 Mimi Zhang , Andrew Parnell

The Green-function technique, termed the irreducible Green functions (IGF) method, that is a certain reformulation of the equation-of motion method for double-time temperature dependent Green functions is presented. This method was…

Strongly Correlated Electrons · Physics 2007-05-23 A. L. Kuzemsky

The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly…

Quantum Physics · Physics 2022-03-24 Trevor Keen , Bo Peng , Karol Kowalski , Pavel Lougovski , Steven Johnston

Distributed signal processing for wireless sensor networks enables that different devices cooperate to solve different signal processing tasks. A crucial first step is to answer the question: who observes what? Recently, several distributed…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-08 Patricia Binder , Michael Muma , Abdelhak M. Zoubir

In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function approach [J. Chem. Phys. 2020, 152, 174113]. We specifically focus on identifying the…

Chemical Physics · Physics 2024-10-07 Bo Peng , Himadri Pathak , Ajay Panyala , Fernando D. Vila , John J. Rehr , Karol Kowalski

This paper presents a new methodology for the solution of problems of two- and three-dimensional acoustic scattering (and, in particular, two-dimensional electromagnetic scattering) by obstacles and defects in presence an arbitrary number…

Numerical Analysis · Mathematics 2017-08-23 Oscar P. Bruno , Carlos Pérez-Arancibia

In this manuscript, we provide an overview of the recent developments of the coupled cluster (CC) downfolding methods, where the ground-state problem of a quantum system is represented through effective/downfolded Hamiltonians defined using…

Quantum Physics · Physics 2023-03-02 Nicholas P. Bauman , Bo Peng , Karol Kowalski

Homogeneous nuclear matter is investigated using the \textit{ab initio} Self-consistent Green's function (SCGF) approach with nuclear interactions based on chiral effective field theory. The employed method, which combines the…

Nuclear Theory · Physics 2026-02-13 Francesco Marino , Carlo Barbieri , Gianluca Colò , Weiguang Jiang , Samuel J. Novario

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

This paper presents a novel {\em Interpolated Factored Green Function} method (IFGF) for the accelerated evaluation of the integral operators in scattering theory and other areas. Like existing acceleration methods in these fields, the IFGF…

Numerical Analysis · Mathematics 2021-02-24 Christoph Bauinger , Oscar P. Bruno

Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…

Chemical Physics · Physics 2023-08-04 Benjamin G. Peyton , Zhe Wang , T. Daniel Crawford