Related papers: The extended coupled cluster method and the pairin…
Research on cluster analysis for categorical data continues to develop, with new clustering algorithms being proposed. However, in this context, the determination of the number of clusters is rarely addressed. In this paper, we propose a…
While the diagonalization of a quadratic bosonic form can always be done using a Bogoliubov transformation, the practical implementation for systems with a large number of different bosons is a tedious analytical task. Here we use the…
The cutting plane approach to optimal matchings has been discussed by several authors over the past decades (e.g., Padberg and Rao '82, Grotschel and Holland '85, Lovasz and Plummer '86, Trick '87, Fischetti and Lodi '07) and its…
This work introduces a refinement of the Parsimonious Model for fitting a Gaussian Mixture. The improvement is based on the consideration of clusters of the involved covariance matrices according to a criterion, such as sharing Principal…
We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over…
Based on the self-energy-functional approach proposed recently [M. Potthoff, Eur. Phys. J. B 32, 429 (2003)], we present an extension of the cluster-perturbation theory to systems with spontaneously broken symmetry. Our method applies to…
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…
We present a parallelizable algorithm for computing the persistent homology of a filtered chain complex. Our approach differs from the commonly used reduction algorithm by first computing persistence pairs within local chunks, then…
The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16…
"Addition-by-subtraction" coupled cluster (CC) approaches provide a promising approach to treating the difficult strong correlation problem by simplifying the standard CC equations. In a separate vein, linearized CC methods have drawn…
The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
Our previously developed Constrained-Pairing Mean-Field Theory (CPMFT) is shown to map onto an Unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation…
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combination of symmetry projection for strong correlation and…
The performance of beyond mean field methods in solving the quantum many body problem for fermions is usually characterized by the correlation energy measured with respect to the underlying mean field value. In this paper we address the…
We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess…
A mixture of multivariate contaminated normal distributions is developed for model-based clustering. In addition to the parameters of the classical normal mixture, our contaminated mixture has, for each cluster, a parameter controlling the…
We propose a method for simulating the behaviour of small clusters of particles that explicitly accounts for all mean-field and binary-correlation effects. Our approach leads to a set of variational equations that can be used to study both…
We propose a new method to solve the Hartree-Fock-Bogoliubov equations for weakly bound nuclei whose purpose is to improve the treatment of the continuum when a finite range two-body interaction is used. We replace the traditional expansion…
The nuclear equation of state is explored with the constrained HFB approach for self conjugate nuclei. It is found that beyond a certain low, more or less universal density, those nuclei spontaneously cluster into A/4 alpha particles with A…