Multiconfiguration Self-Consistent-Field Calculations for Several States of Boron

Multiconfiguration self-consistent-field calculations were performed on the following states of boron: $2s^{2}2p$, ${}_{}{}^2{}_{}{}^{}P$, $2s2p^2$, ${}_{}{}^4{}_{}{}^{}P$, ${}_{}{}^2{}_{}{}^{}D$, ${}_{}{}^2{}_{}{}^{}P$, $2s^{2}3s$, ${}_{}{}^2{}_{}{}^{}S$, and $2p^3$, ${}_{}{}^4{}_{}{}^{}S$. For each state, only configurations resulting from the replacement of the valence-shell orbitals were used, and consequently only the valence-shell correlation was calculated adequately. The correlation orbital set consisted of one orbital in each of the symmetries $s$, $p$, and $d$ (except for the $2s^{2}3s$, ${}_{}{}^2{}_{}{}^{}S$ state, where there were two orbitals of $p$ symmetry). For the ground state, the value of 0.067 hartree was obtained for the valence-shell correlation energy. From the wave functions obtained, the term energies and the oscillator strengths for the allowed transitions were calculated and found to be in general agreement with the results of more elaborate calculations and experiments.