Calculating Spin-Orbit Matrix Elements withracah

Autor: Ross, Hughan J., McAven, Luke F., Shinagawa, Kiminari, Butler, Philip H.
Zdroj: Journal of Computational Physics; October 1996, Vol. 128 Issue: 2 p331-340, 10p
Abstrakt: racahis a computer program developed to simplify calculations involving generalized coupling coefficients. As a demonstration of its usefulness in doing this, we apply it to calculating the spin-orbit matrix elements of CrBr3. From those matrix elements we can derive the spin-orbit coupling coefficients, vital to discussing Kerr rotation. We base our calculations on a cluster consisting of a Cr3+ion, surrounded by six Br−ions in an octahedral configuration. The Racah–Wigner calculus, useful for doing such calculations, is built intoracahin such a way as to provide a natural approach to choosing between possible group chains.
Databáze: Supplemental Index