RACAH swMATH ID: 9269 Software Authors: Ross, Hughan J.; McAven, Luke F.; Shinagawa, Kiminari; Butler, Philip H. Description: Calculating spin-orbit matrix elements with RACAH. RACAH is 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 CrBr 3 . 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 Cr 3+ ion, surrounded by six Br - ions in an octahedral configuration. The Racah-Wigner calculus, useful for doing such calculations, is built into RACAH in such a way as to provide a natural approach to choosing between possible group chains. Homepage: http://www.sciencedirect.com/science/article/pii/S0021999196902144 Keywords: spectroscopy; RACAH; computer program; spin-orbit matrix elements; Kerr rotation; Racah-Wigner calculus Related Software: PGSG Cited in: 2 Publications all top 5 Cited by 6 Authors 2 Butler, Philip H. 2 McAven, Luke F. 1 Chen, Jinquan 1 Fan, Peng-Dong 1 Ross, Hughan J. 1 Shinagawa, Kiminari Cited in 2 Serials 1 Journal of Computational Physics 1 Journal of Mathematical Physics Cited in 3 Fields 2 Quantum theory (81-XX) 1 Group theory and generalizations (20-XX) 1 Numerical analysis (65-XX) Citations by Year