A program for computing autoionization properties

Abstract A program for computing atomic autoionization widths, decay rates and lifetimes is presented as a new part of the MCHF atomic structure package. The method used is based on the “configuration interaction in the continuum” theory by Fano, in which the continuum is computed independently of the discrete part and the width is given by the “Golden Rule” formula. The program allows for correlation in the discrete part of the atomic state function and in the target, through multiconfiguration expan... Title of program: MCHF_AUTO Catalogue Id: ACLD_v1_0 Nature of problem This program is an extension of the MCHF atomic structure package to calculations of autoionization rates and line widths. Versions of this program held in the CPC repository in Mendeley Data ACLD_v1_0; MCHF_AUTO; 10.1016/0010-4655(93)90021-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)摘要 本程序作为MCHF原子结构程序包（MCHF atomic structure package）的新增模块，可用于计算原子自电离宽度（atomic autoionization widths）、衰变速率与寿命。所采用的方法基于Fano提出的连续区组态相互作用（configuration interaction in the continuum）理论，该理论中连续态与离散态的计算相互独立，且宽度通过黄金定则（Golden Rule）公式给出。本程序支持通过多组态展开（multiconfiguration expan，原文截断）对原子态函数的离散部分及靶态部分进行关联处理。 程序名称：MCHF_AUTO 目录编号：ACLD_v1_0 问题概述 本程序为MCHF原子结构程序包的扩展模块，用于开展自电离速率与谱线宽度的计算。 Mendeley数据集中CPC库收录的本程序版本 ACLD_v1_0; MCHF_AUTO; 10.1016/0010-4655(93)90021-4 本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）