Related papers: The perfect matching association scheme

We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…

The main aim of this paper is to construct explicitly orthogonal bases for the spaces of k-homogeneous polynomial solutions of the Hodge-de Rham system in the Euclidean space R^m which take values in the space of s-vectors. Actually, we…

We study the symmetry properties of autonomous integrating factors from an algebraic point of view. The symmetries are delineated for the resulting integrals treated as equations and symmetries of the integrals treated as functions or…

A semi-algebraic set is a subset of $\mathbb{R}^n$ defined by a finite collection of polynomial equations and inequalities. In this paper, we investigate the problem of determining whether two points in such a set belong to the same…

We describe the implementation of orbital optimization for the models in the perfect pairing hierarchy [Lehtola et al, J. Chem. Phys. 145, 134110 (2016)]. Orbital optimization, which is generally necessary to obtain reliable results, is…

Many common methods for data analysis rely on linear algebra. We provide new results connecting data analysis error to numerical accuracy, which leads to the first meaningful stopping criterion for two way spectral partitioning. More…

The word problem for an arbitrary associative Rota-Baxter algebra is solved. This leads to a noncommutative generalization of the classical Spitzer identities. Links to other combinatorial aspects, particularly of interest in physics, are…

In this PhD thesis we propose an algorithmic approach to the study of the Hilbert scheme. Developing algorithmic methods, we also obtain general results about Hilbert schemes. In Chapter 1 we discuss the equations defining the Hilbert…

This paper focuses on integer linear programs where solutions are binary matrices, and the corresponding symmetry group is the set of all column permutations. Orbitopal fixing, as introduced by Kaibel et al., is a technique designed to…

The Bethe ansatz, both in its coordinate and its algebraic version, is an exceptional method to compute the eigenvectors and eigenvalues of integrable systems. However, computing correlation functions using the eigenvectors thus constructed…

Hilbert space frames generalize orthonormal bases to allow redundancy in representations of vectors while keeping good reconstruction properties. A frame comes with an associated frame operator encoding essential properties of the frame. We…

Fast exact algorithms are known for Hamiltonian paths in undirected and directed bipartite graphs through elegant though involved algorithms that are quite different from each other. We devise algorithms that are simple and similar to each…

We have recently discussed an algorithm to automatically generate auxiliary basis sets (ABSs) of the standard form for density fitting (DF) or resolution-of-the-identity (RI) calculations in a given atomic orbital basis set (OBS) of any…

If one has to attain high accuracy over long timescales during the numerical computation of the N-body problem, the method called Lie-integration is one of the most effective algorithms. In this paper we present a set of recurrence…

An algorithm for the explicit computation of a complete set of primitive central idempotents, Wedderburn decomposition and the automorphism group of the semisimple group algebra of a finite metabelian group is developed. The algorithm is…

This is a survey of recent progress in several areas of combinatorial algebra. We consider combinatorial problems about free groups, polynomial algebras, free associative and Lie algebras. Our main idea is to study automorphisms and, more…

A construction of integrable hamiltonian systems associated with different graded realizations of untwisted loop algebras is proposed. Such systems have the form of Euler - Arnold equations on orbits of loop algebras. The proof of…

We present a novel algorithm for (i) detecting approximate symmetries inherently present among spatially localized molecular orbitals and (ii) enforcing these in numerically exact manners by means of unitary optimization techniques. The…

In a k-linear triangulated category (where k is a field) we show that the existence of Auslander-Reiten triangles implies that objects are determined, up to shift, by knowing dimensions of homomorphisms between them. In most cases the…

In this review we demonstrate how the algebraic Bethe ansatz is used for the calculation of the energy spectra and form factors (operator matrix elements in the basis of Hamiltonian eigenstates) in exactly solvable quantum systems. As…