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Related papers: Coupled-Cluster Imaginary-Time Evolution and the C…

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The coupled cluster iteration scheme for determining the cluster amplitudes involves a set of nonlinearly coupled difference equations. In the space spanned by the amplitudes, the set of equations are analysed as a multivariate…

In this paper we are concerned with the learnability of energies from data obtained by observing time evolutions of their critical points starting at random initial equilibria. As a byproduct of our theoretical framework we introduce the…

Machine Learning · Computer Science 2019-11-04 Stefano Almi , Massimo Fornasier , Richard Huber

A dynamical formulation of coupled cluster theory is derived using a variational principle. By allowing time-dependent single-particle functions, a high degree of adaptivity is introduced, allowing complex systems to be simulated with high…

Quantum Physics · Physics 2014-11-25 Simen Kvaal

In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…

Chemical Physics · Physics 2025-05-09 Martín A. Mosquera

The iteration dynamics of the coupled cluster equations exhibits a synergistic relationship among the cluster amplitudes. The iteration scheme may be viewed as a multivariate discrete-time propagation of nonlinearly coupled equations, which…

Computational Physics · Physics 2021-09-16 Valay Agarawal , Samrendra Roy , Kapil K. Shrawankar , Mayank Ghogale , S Bharathi , Anchal Yadav , Rahul Maitra

Intermittent renewable energy resources like wind and solar pose great uncertainty of multiple time scales, from minutes to years, on the design and operation of power systems. Energy system optimization models have been developed to find…

Optimization and Control · Mathematics 2022-04-27 Yuheng Zhang , Vivian Cheng , Dharik S. Mallapragada , Jie Song , Guannan He

The coupled cluster iteration scheme is analysed as a multivariate discrete-time map using nonlinear dynamics and synergetics. The nonlinearly coupled set of equations to determine the cluster amplitudes are driven by a fraction of the…

Computational Physics · Physics 2021-10-13 Valay Agarawal , Chayan Patra , Rahul Maitra

The dynamics associated with the time series of the iteration scheme of coupled cluster theory has been analysed. The phase space analysis indicates the presence of a few significant cluster amplitudes, mostly involving valence excitations,…

Strongly Correlated Electrons · Physics 2021-02-24 Valay Agarawal , Samrendra Roy , Anish Chakraborty , Rahul Maitra

The Coupled-Cluster theory is one of the most successful high precision methods used to solve the stationary Schr\"odinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in…

Chemical Physics · Physics 2019-09-04 Andre Laestadius , Fabian M. Faulstich

The problem of organizing data that evolves over time into clusters is encountered in a number of practical settings. We introduce evolutionary subspace clustering, a method whose objective is to cluster a collection of evolving data points…

Computer Vision and Pattern Recognition · Computer Science 2019-01-30 Abolfazl Hashemi , Haris Vikalo

In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

Materials Science · Physics 2020-04-15 Igor Ying Zhang , Andreas Grüneis

We propose a clustered local projection (clustered LP) method to estimate impulse response functions in a class of time-varying models where parameter variation is linked to a low-dimensional matrix of observables. We show that the…

Econometrics · Economics 2026-05-04 Ana Maria Herrera , Elena Pesavento , Alessia Scudiero

We study the collective behaviour of an ensemble of coupled motile elements whose interactions depend on time and are alternatively attractive or repulsive. The evolution of interactions is driven by individual internal variables with…

Statistical Mechanics · Physics 2009-11-10 Damian H. Zanette , Alexander S. Mikhailov

In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. In this second part, we analyze the nonlinear equations of the single-reference Coupled-Cluster method using topological degree…

Numerical Analysis · Mathematics 2023-03-28 Mihály A. Csirik , Andre Laestadius

We examine an infinite, linear system of ordinary differential equations that models the evolution of fragmenting clusters, where each cluster is assumed to be composed of identical units. In contrast to previous investigations into such…

Functional Analysis · Mathematics 2024-06-17 Lyndsay Kerr , Wilson Lamb , Matthias Langer

A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of…

Statistical Mechanics · Physics 2018-12-21 G. S. Bokun , M. F. Holovko

The mathematical foundation of the so-called extended coupled-cluster method for the solution of the many-fermion Schr\"odinger equation is here developed. We prove an existence and uniqueness result, both in the full infinite-dimensional…

Numerical Analysis · Mathematics 2017-02-15 Andre Laestadius , Simen Kvaal

We review the basics of the coupled-cluster expansion formalism for numerical solutions of the many-body problem, and we outline the principles of an approach directed towards an adequate inclusion of continuum effects in the associated…

Nuclear Theory · Physics 2009-11-10 Bogdan Mihaila

The large amount of data on galaxies, up to higher and higher redshifts, asks for sophisticated statistical approaches to build adequate classifications. Multivariate cluster analyses, that compare objects for their global similarities, are…

Cosmology and Nongalactic Astrophysics · Physics 2011-06-22 Didier Fraix-Burnet

Imaginary time evolution is a powerful tool applied in quantum physics, while existing classical algorithms for simulating imaginary time evolution suffer high computational complexity as the quantum systems become larger and more complex.…

Quantum Physics · Physics 2022-10-12 Hao-Nan Xie , Shi-Jie Wei , Fan Yang , Zheng-An Wang , Chi-Tong Chen , Heng Fan , Gui-Lu Long
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