Manyhyphen;body crystal field calculations. I. Methods of computation and perturbation expansion

摘要

The practical implementation of biorthogonal perturbation techniques to calculate onehyphen; and twohyphen;electron crystal field parameters is described. The systems and basis sets used in the calculations are described in detail, and several crucial aspects of the numerical procedures are discussed. A complete listing of second order perturbation diagrams with associated denominator corrections is given.