A fast algorithm for computing the Boys function

TL;DR

This paper introduces a rapid algorithm for calculating the Boys function by approximating the integrand with exponentials, enabling efficient evaluation for real and complex arguments, and competing well with existing methods.

Contribution

The paper proposes a novel fast algorithm for the Boys function using exponential approximation, improving computational efficiency over prior approaches.

Findings

Algorithm achieves faster computation times.

Supports real and complex arguments.

Competitive accuracy with existing methods.

Abstract

We present a new fast algorithm for computing the Boys function using a nonlinear approximation of the integrand via exponentials. The resulting algorithms evaluate the Boys function with real and complex valued arguments and are competitive with previously developed algorithms for the same purpose.