THE MCHF ATOMIC-STRUCTURE PACKAGE

The multi-configuration Hartree-Fock code (MCHF) determines radial functions that define the orbitals of configuration states in the expansion of a non-relativistic wave function of a many-electron system. This code has been combined with others that perform angular and/or radial integrations to form an atomic-structure package for the prediction of atomic properties, called the MCHF atomic-structure package. This article describes the scope of the package, its design philosophy, organization, data input, and common file formats. Through examples it also outlines the series of steps that typically are required in the prediction of an atomic property. The present package is restricted to energy levels and transition probabilities, either in the non-relativistic LS framework or the Breit-Pauli, relativistic LSJ framework.