Energy Minimization Scheme for Split Potential Systems Using Exponential Variational Integrators

Abstract

From MDPI via Jisc Publications RouterHistory: accepted 2021-06-18, pub-electronic 2021-06-24Publication status: PublishedIn previous works we developed a methodology of deriving variational integrators to provide numerical solutions of systems having oscillatory behavior. These schemes use exponential functions to approximate the intermediate configurations and velocities, which are then placed into the discrete Lagrangian function characterizing the physical system. We afterwards proved that, higher order schemes can be obtained through the corresponding discrete Euler–Lagrange equations and the definition of a weighted sum of “continuous intermediate Lagrangians” each of them evaluated at an intermediate time node. In the present article, we extend these methods so as to include Lagrangians of split potential systems, namely, to address cases when the potential function can be decomposed into several components. Rather than using many intermediate points for the complete Lagrangian, in this work we introduce different numbers of intermediate points, resulting within the context of various reliable quadrature rules, for the various potentials. Finally, we assess the accuracy, convergence and computational time of the proposed technique by testing and comparing them with well known standards

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