A Portal for High-Precision Atomic Data and Computation: Design and Best Practices

TL;DR

The paper introduces the Atom portal, a resource offering high-precision atomic data computed with advanced methods, including design principles and software practices for accessibility and reliability.

Contribution

It presents the design and implementation of a comprehensive portal for atomic data, integrating high-precision calculations and best software engineering practices.

Findings

Provides high-precision atomic data with uncertainties

Integrates experimental and theoretical data sources

Offers an accessible online platform for atomic properties

Abstract

The Atom portal, udel.edu/atom, provides the scientific community with easily accessible high-quality data about properties of atoms and ions, such as energies, transition matrix elements, transition rates, radiative lifetimes, branching ratios, polarizabilities, and hyperfine constants. The data are calculated using a high-precision state-of-the-art linearized coupled-cluster method, high-precision experimental values are used where available. All values include estimated uncertainties. Where available, experimental results are provided with references. This paper provides an overview of the portal and describes the design as well as applied software engineering practices.