PyZeroCoreContribution README

Introduction

PyZeroCoreContribution is a python implementation of the Zero-Core-contribution method for the calculation photodetachment cross sections and anisotropy parameters of negative-ions. Details are in the following publications [1, 2, 3, 4] and others.

Method

The photodetachment cross section of a negative ion may be calculated from:

\frac{d\sigma}{d\Omega} = \frac{e^2}{\hbar c}\frac{\omega k^2}{2\pi}|M_{k0}|^2,

where M_{k0} = < k | \sum_i \hat{e} \cdot \vec{r}_i | 0 >

Implementation

This is a Python implementation of the algorithms given in the above publications. (more detail to follow)

Reference

1. R.M. Stehman and S.B. Woo "Zero-core-contribution model and its application to photodetachment of atomic negative-ions" Physical Review A 20, 281-290 (1979)
2. R.M. Stehman and S.B. Woo "Zero-core-contribution calculation of photodetachment cross-sections of O2- and S2-" Physical Review A 28, 2866-2876 (1981)
3. W.B. Clodius, R.M. Stehman, and S.B. Woo "Zero-core-contribution calculation of a polyatomic photodetachment cross-section - NO2-" Physical Review A 2*, 760-765 (1983)
4. W.B. Clodius, R.M. Stehman, and S.B. Woo, "Zero-core-contribution calculation of photodetachment characteristics of heteronuclear diatomic anions" Physical Review A 28, 1160-1163 (1983)

Citation

If you find PyZeroCore useful in your work please consider citing this project.