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Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

We make a comparison between the energy levels of the hydrogen atom, calculated by using standard methods, and that by using a modified Coulomb potential due to the interaction between the magnetic moments of the proton and electron. In…

Atomic Physics · Physics 2014-07-09 Voicu Dolocan

The Schrodinger equation incorporating the long-range Coulomb potential takes the form of a Fredholm equation whose kernel is singular on its diagonal when represented by a basis bearing a continuum of states, such as in a Fourier-Bessel…

Mathematical Physics · Physics 2011-05-06 N. Michel

We present two methods for computing dimensionally-regulated NRQCD heavy-quarkonium matrix elements that are related to the second derivative of the heavy-quarkonium wave function at the origin. The first method makes use of a hard-cutoff…

High Energy Physics - Phenomenology · Physics 2008-11-26 Geoffrey T. Bodwin , Daekyoung Kang , Jungil Lee

A generalization of the factorization technique is shown to be a powerful algebraic tool to discover further properties of a class of integrable systems in Quantum Mechanics. The method is applied in the study of radial oscillator, Morse…

Quantum Physics · Physics 2008-10-13 J. Negro , L. M. Nieto , O. Rosas-Ortiz

It is known that the Schroedinger equation may be derived from a hydrodynamic model in which the Lagrangian position coordinates of a continuum of particles represent the quantum state. Using Routh\s method of ignorable coordinates it is…

Quantum Physics · Physics 2018-08-23 Peter Holland

The non-relativistic Schrodinger equation with the linear and Coulomb potentials is solved numerically in configuration space using the relaxation method. The numerical method presented in this paper is a plain explicit Schrodinger solver…

Quantum Physics · Physics 2007-05-23 Alfred Tang , Daniel R. Shillinglaw , George Nill

We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can…

Numerical Analysis · Mathematics 2010-05-27 Thomas Witkowski , Axel Voigt

The procedure commonly used in textbooks for determining the eigenvalues and eigenstates for a particle in an attractive Coulomb potential is not symmetric in the way the boundary conditions at $r=0$ and $r \rightarrow \infty$ are…

General Physics · Physics 2018-01-09 A. A. Othman , M. de Montigny , F. Marsiglio

In this work, we investigate the masses of a few heavy-light mesons with variational method, taking into account the two-loop effects in the static Cornell potential. Specifically, we consider two wave-function,Gaussian and Coulomb. Our…

High Energy Physics - Phenomenology · Physics 2019-05-22 Jugal Lahkar , Rashidul Hoque , D. K. Choudhury

The exact solution of N- dimensional radial Schr\"odinger equation with the generalized Cornell potential has been obtained using the Laplace transformation (LT) method. The energy eigenvalues and the corresponding wave functions for any…

High Energy Physics - Phenomenology · Physics 2018-02-15 M. Abu-Shady , T. A. Abdel-Karim , E. M. Khokha

It is shown that the operator methods of supersymmetric quantum mechanics and the concept of shape invariance can profitably be used to derive properties of spherical harmonics in a simple way. The same operator techniques can also be…

High Energy Physics - Theory · Physics 2009-10-30 Ranabir Dutt , Asim Gangopadhyaya , Uday P. Sukhatme

Two independent calculations of proton-deuteron elastic scattering observables including Coulomb repulsion between the two protons are compared in the proton lab energy region between 3 MeV and 65 MeV. The hadron dynamics is based on the…

Nuclear Theory · Physics 2009-11-11 A. Deltuva , A. C. Fonseca , A. Kievsky , S. Rosati , P. U. Sauer , M. Viviani

We present a rigorous efficient event-chain Monte Carlo algorithm for long-range interacting particle systems. Using a cell-veto scheme within the factorized Metropolis algorithm, we compute each single-particle move with a fixed number of…

Statistical Mechanics · Physics 2016-09-28 Sebastian C. Kapfer , Werner Krauth

This paper reports investigations on the computation of material fronts in multi-fluid models using a Lagrange-Projection approach. Various forms of the Projection step are considered. Particular attention is paid to minimization of…

Numerical Analysis · Mathematics 2010-12-22 Christophe Chalons , Frédéric Coquel

Dynamical coupled-channel approaches are a widely used tool in hadronic physics that allow to analyze different reactions and partial waves in a consistent way. In such approaches the basic interactions are derived within an effective…

High Energy Physics - Lattice · Physics 2015-05-30 M. Döring , J. Haidenbauer , U. -G. Meißner , A. Rusetsky

This paper provides an examination of how are prediction of standard quantum mechanic (QM) affected by introducing a noncommutative (NC) structure into the configuration space of the considered system (electron in the Coulomb potential in…

Mathematical Physics · Physics 2015-12-10 Veronika Gáliková , Samuel Kováčik , Peter Prešnajder

In this paper we address the problem of a particle moving in singular one dimensional potentials in the framework of quantum mechanics with minimal length. Using the momentum space representation we solve exactly the Schrodinger equation…

Quantum Physics · Physics 2007-05-23 Khireddine Nouicer

Machine learning potentials have become an important tool for atomistic simulations in many fields, from chemistry via molecular biology to materials science. Most of the established methods, however, rely on local properties and are thus…

Materials Science · Physics 2021-03-17 Tsz Wai Ko , Jonas A. Finkler , Stefan Goedecker , Jörg Behler

An iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested on previously established benchmark systems and it is proved…

Computational Physics · Physics 2018-08-15 D. Kidd , A. S. Umar , K. Varga
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