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A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…

Computational Physics · Physics 2007-05-23 Igor P. Omelyan

A class of log-trigonometric integrals are evaluated in terms of elliptic functions. From this, by using the elliptic integral singular values, one can obtain closed form evaluations of integrals such as \[…

General Mathematics · Mathematics 2020-12-03 Martin Nicholson

A kink-based path integral method, previously applied to atomic systems, is modified and used to study molecular systems. The method allows the simultaneous evolution of atomic and electronic degrees of freedom. Results for CH$_4 $, NH$_3…

Chemical Physics · Physics 2009-11-11 Randall W. Hall

The algorithms given in Karney, J. Geodesy 87, 43-55 (2013), to compute geodesics on terrestrial ellipsoids are extended to apply to ellipsoids of revolution with arbitrary eccentricity. For the direct and inverse geodesic problems, this…

Geophysics · Physics 2025-10-28 Charles F. F. Karney

The ensemble Kalman inversion (EKI) for the solution of Bayesian inverse problems of type $y = A u +\varepsilon$, with $u$ being an unknown parameter, $y$ a given datum, and $\varepsilon$ measurement noise, is a powerful tool usually…

Numerical Analysis · Mathematics 2023-03-16 Leon Bungert , Philipp Wacker

Hybrid inverse problems are based on the interplay of two types of waves, in order to allow for imaging with both high resolution and high contrast. The inversion procedure often consists of two steps: first, internal measurements involving…

Analysis of PDEs · Mathematics 2022-10-14 Giovanni S. Alberti

This paper studies formulations of second-order elliptic partial differential equations in nondivergence form on convex domains as equivalent variational problems. The first formulation is that of Smears \& S\"uli [SIAM J.\ Numer.\ Anal.\…

Numerical Analysis · Mathematics 2017-01-17 Dietmar Gallistl

In the Euclidean $k$-Means problem we are given a collection of $n$ points $D$ in an Euclidean space and a positive integer $k$. Our goal is to identify a collection of $k$ points in the same space (centers) so as to minimize the sum of the…

Data Structures and Algorithms · Computer Science 2021-09-21 Fabrizio Grandoni , Rafail Ostrovsky , Yuval Rabani , Leonard J. Schulman , Rakesh Venkat

We propose and analyze an unfitted finite element method for solving elliptic problems on domains with curved boundaries and interfaces. The approximation space on the whole domain is obtained by the direct extension of the finite element…

Numerical Analysis · Mathematics 2021-12-28 Fanyi Yang , Xiaoping Xie

In this paper, we propose an inexact proximal Newton-type method for nonconvex composite problems. We establish the global convergence rate of the order $\mathcal{O}(k^{-1/2})$ in terms of the minimal norm of the KKT residual mapping and…

Optimization and Control · Mathematics 2024-12-26 Hong Zhu

Floating-point arithmetic performance determines the overall performance of important applications, from graphics to AI. Meeting the IEEE-754 specification for floating-point requires that final results of addition, subtraction,…

Mathematical Software · Computer Science 2024-04-02 Lucas M. Dutton , Christopher Kumar Anand , Robert Enenkel , Silvia Melitta Müller

We consider nonconstant periodic constrained minimizers of semilinear elliptic equations for integro-differential operators in $\mathbb{R}$. We prove that, after an appropriate translation, each of them is necessarily an even function which…

Analysis of PDEs · Mathematics 2024-04-10 Xavier Cabre , Gyula Csató , Albert Mas

This book aims to provide a self-contained introduction to the regularity theory for integro-differential elliptic equations, mostly developed in the 21st century. Such a class of equations often arises in analysis, probability theory,…

Analysis of PDEs · Mathematics 2024-11-20 Xavier Fernández-Real , Xavier Ros-Oton

The quantum dynamics of an electron in a uniform magnetic field is studied for geometries corresponding to integrable cases. We obtain the uniform asymptotic approximation of the WKB energies and wavefunctions for the semi-infinite plane…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 D. Spehner , R. Narevich , E. Akkermans

Inversion of the K-fold stochastic autoconvolution integral equation is an elementary nonlinear problem, yet there are no de facto methods to solve it with finite statistics. To fix this problem, we introduce a novel inverse algorithm based…

High Energy Physics - Phenomenology · Physics 2019-06-07 Mikael Mieskolainen

Ellipse and ellipsoid fitting has been extensively researched and widely applied. Although traditional fitting methods provide accurate estimation of ellipse parameters in the low-noise case, their performance is compromised when the noise…

Methodology · Statistics 2009-12-10 Jieqi Yu , Sanjeev R. Kulkarni , H. Vincent Poor

Context. Many algorithms to solve Kepler's equations require the evaluation of trigonometric or root functions. Aims. We present an algorithm to compute the eccentric anomaly and even its cosine and sine terms without usage of other…

Instrumentation and Methods for Astrophysics · Physics 2018-11-21 Mathias Zechmeister

We study nanomachines whose relevant (effective) degrees of freedom f >> 1 but smaller than f of proteins. In these machines, both the entropic and the quantum effects over the whole system play the essential roles in producing nontrivial…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 Ryoko Hatakeyama , Akira Shimizu

Consider a superelliptic integral $I=\int P/(Q S^{1/k}) dx$ with $\mathbb{K}=\mathbb{Q}(\xi)$, $\xi$ a primitive $k$th root of unity, $P,Q,S\in\mathbb{K}[x]$ and $S$ has simple roots and degree coprime with $k$. Note $d$ the maximum of the…

Algebraic Geometry · Mathematics 2021-03-09 Thierry Combot

In 1985, Schoof devised an algorithm to compute zeta functions of elliptic curves over finite fields by directly computing the numerators of these rational functions modulo sufficiently many primes (see \cite{schoof_1985}). If $E/K$ is an…

Number Theory · Mathematics 2025-12-11 Félix Baril Boudreau