The construction of matrices of orthogonal operators for dN configurations

✍ Scribed by H.J. Kooy Jr.

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 601 KB
• Volume: 74
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(93)90111-o

✦ Synopsis

This program calculates the matrix elements of orthogonal operators for dN configurations. These operators are used to describe the perturbing effects of electrostatic, magnetic and crossed magnetic-electrostatic interactions on an atomic configuration. The reason for using orthogonal operators is that the mean errors of the parameters, which are associated with these matrices, are smaller than those of the conventional type of parameters. Whereas some of the matrix elements were available but scattered in the literature, others, the matrix elements for the magnetic operators in d 4 and d5 have not been available previously.