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Related papers: The Coupled-Cluster Formalism - a Mathematical Per…

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A self-energy-functional approach is applied to construct cluster approximations for correlated lattice models. It turns out that the cluster-perturbation theory (Senechal et al, PRL 84, 522 (2000)) and the cellular dynamical mean-field…

Strongly Correlated Electrons · Physics 2007-05-23 M. Potthoff , M. Aichhorn , C. Dahnken

We propose to improve the convergence properties of the single-reference coupled cluster (CC) method through an augmented Lagrangian formalism. The conventional CC method changes a linear high-dimensional eigenvalue problem with exponential…

Computational Physics · Physics 2024-03-26 Fabian M. Faulstich , Yuehaw Khoo , Kangbo Li

An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…

Chemical Physics · Physics 2015-09-02 Stella Stopkowicz , Jürgen Gauss , Kai K. Lange , Erik I. Tellgren , Trygve Helgaker

The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding…

Chemical Physics · Physics 2021-01-07 Maximilian Mörchen , Leon Freitag , Markus Reiher

In this paper, we have developed a unitary variant of a double exponential coupled cluster theory, which is capable of mimicking the effects of connected excitations of arbitrarily high rank, using only rank-one and rank-two parametrization…

Chemical Physics · Physics 2022-11-23 Dipanjali Halder , V. S. Prasannaa , Rahul Maitra

A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates…

Statistical Mechanics · Physics 2016-07-29 Alvise Bastianello , Spyros Sotiriadis

A stochastic Schr\"odinger equation is presented to describe simultaneous continuous measurement of the position and momentum of a non-relativistic particle. The equation is solved to yield a state localised in position and momentum…

Quantum Physics · Physics 2025-09-16 Daniel J. Bedingham

A methodology for handling block-to-block coupling of nonconforming, multiblock summation-by-parts finite difference methods is proposed. The coupling is based on the construction of projection operators that move a finite difference grid…

Numerical Analysis · Mathematics 2021-06-03 Jeremy E. Kozdon , Lucas C. Wilcox

Clustering is a widely used unsupervised learning method for finding structure in the data. However, the resulting clusters are typically presented without any guarantees on their robustness; slightly changing the used data sample or…

Machine Learning · Statistics 2017-01-02 Andreas Henelius , Kai Puolamäki , Henrik Boström , Panagiotis Papapetrou

We explore the applicability of splitting methods involving complex coefficients to solve numerically the time-dependent Schr\"odinger equation. We prove that a particular class of integrators are conjugate to unitary methods for…

Numerical Analysis · Mathematics 2021-09-16 S. Blanes , F. Casas , A. Escorihuela-Tomàs

We derive and implement a new way of solving coupled cluster equations with lower computational scaling. Our method is based on decomposition of both amplitudes and two electron integrals, using a combination of tensor hypercontraction and…

Chemical Physics · Physics 2020-05-14 Roman Schutski , Jinmo Zhao , Thomas M. Henderson , Gustavo E. Scuseria

Clustering in image analysis is a central technique that allows to classify elements of an image. We describe a simple clustering technique that uses the method of similarity matrices. We expand upon recent results in spectral analysis for…

Statistics Theory · Mathematics 2022-03-23 Denis Gaidashev , Ralf Pihlström , Martin Ryner

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segr\`e chart. While coupled-cluster computations are especially efficient at…

Nuclear Theory · Physics 2026-04-08 F. Marino , F. Bonaiti , P. Demol , S. Bacca , T. Duguet , G. Hagen , G. R. Jansen , T. Papenbrock , A. Tichai

We present trapped solitary wave solutions of a coupled nonlinear Schr\"odinger system in $1$+$1$ dimensions in the presence of an external, supersymmetric and complex $\mathcal{PT}$-symmetric potential. The Schr\"odinger system this work…

Pattern Formation and Solitons · Physics 2020-12-02 Efstathios G. Charalampidis , John F. Dawson , Fred Cooper , Avinash Khare , Avadh Saxena

One of the fundamental problems in network analysis is detecting community structure in multi-layer networks, of which each layer represents one type of edge information among the nodes. We propose integrative spectral clustering approaches…

Machine Learning · Statistics 2022-10-07 Sihan Huang , Haolei Weng , Yang Feng

We use, for the first time, ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas at a Wigner-Seitz radius of $r_\mathrm{s}=4$. The coupled-cluster approximations we employ go significantly beyond the…

The problem of multimodal clustering arises whenever the data are gathered with several physically different sensors. Observations from different modalities are not necessarily aligned in the sense there there is no obvious way to associate…

Machine Learning · Statistics 2020-12-10 Vasil Khalidov , Florence Forbes , Radu Horaud

We propose a novel probabilistic approach to multilevel clustering problems based on composite transportation distance, which is a variant of transportation distance where the underlying metric is Kullback-Leibler divergence. Our method…

Machine Learning · Computer Science 2018-10-30 Nhat Ho , Viet Huynh , Dinh Phung , Michael I. Jordan

The coupled-cluster method is applied to the spin-1/2 antiferromagnetic XXZ model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is…

Strongly Correlated Electrons · Physics 2015-05-28 Mohammad Merdan , Y. Xian

The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…

Strongly Correlated Electrons · Physics 2009-11-11 D. J. J. Farnell , J. Schulenburg , J. Richter , K. A. Gernoth