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A generalized Numerov method for linear second-order differential equations involving a first derivative term

V. I. Tselyaev

TL;DR

This work tackles the challenge of solving linear second-order differential equations with a first-derivative term, which arise in self-consistent Skyrme-Hartree-Fock calculations due to an effective mass. It introduces the Generalized Linear Numerov Method (GLNM), deriving a sixth-order accurate three-point recurrence and a practical derivative evaluation that maintain Numerov precision while accommodating $g(x)$ in the equation. The method is applied to radial HF problems by outward/inward integration and a matching condition to extract eigenvalues, with boundary values obtained from analytic expansions and asymptotic functions, and then used iteratively for self-consistency. Implementation in a HF code and validation on doubly magic nuclei across Skyrme parametrizations demonstrate accurate reproduction of known results and improved efficiency by avoiding interpolation of $g$ and $f$ between grid points.

Abstract

The Numerov method for linear second-order differential equations is generalized to include equations containing a first derivative term. The method presented has the same degree of accuracy as the ordinary Numerov sixth-order method. A general scheme of the application to the numerical solution of the Hartree-Fock equations is considered.

A generalized Numerov method for linear second-order differential equations involving a first derivative term

TL;DR

This work tackles the challenge of solving linear second-order differential equations with a first-derivative term, which arise in self-consistent Skyrme-Hartree-Fock calculations due to an effective mass. It introduces the Generalized Linear Numerov Method (GLNM), deriving a sixth-order accurate three-point recurrence and a practical derivative evaluation that maintain Numerov precision while accommodating in the equation. The method is applied to radial HF problems by outward/inward integration and a matching condition to extract eigenvalues, with boundary values obtained from analytic expansions and asymptotic functions, and then used iteratively for self-consistency. Implementation in a HF code and validation on doubly magic nuclei across Skyrme parametrizations demonstrate accurate reproduction of known results and improved efficiency by avoiding interpolation of and between grid points.

Abstract

The Numerov method for linear second-order differential equations is generalized to include equations containing a first derivative term. The method presented has the same degree of accuracy as the ordinary Numerov sixth-order method. A general scheme of the application to the numerical solution of the Hartree-Fock equations is considered.

Paper Structure

This paper contains 3 sections, 20 equations.