Abstract

For an arbitrary electron configuration ${l_1}^{n_1}{l_2}^{n_2}{l_3}^{n_3}\cdots$, analytical expressions are derived for the energy-matrix coefficients of the electrostatic-interaction parameters F^k(l_i,l_j) and G^k(l_i,l_j) and of the spin–orbit parameters ζ(l_i). A computer program is described which calculates decimal values of these coefficients for any configuration with less than five open subshells, starting from only a table of the terms, parents, and coefficients of fractional parentage for each open subshell ${l_i}^{n_i}$. Given also a set of values of the parameters, the program evaluates and diagonalizes the energy matrices to obtain the eigenvalues and eigenvectors of the states belonging to this configuration. If so specified, the program does the above for two configurations of opposite parity, differences eigenvalues to obtain wavelengths for dipole transitions, and from the eigenvectors computes line strengths and (given an absolute value for the reduced dipole matrix element) transition probabilities.

© 1968 Optical Society of America

Theoretical Study of pm–pm⁻¹l Spectra*

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