Calculations of Optical Transitions of the F Center

Abstract

All the low-lying complete wave functions for the F : center have been obtained in the molecular orbital approach. These functions are further improved by taking into account the interaction between different configurations. It is shown that the ground state is 1A, and the first excited state is lE. The calculated transition energies are in reasonable agreement with the observed R+ transitions.On a obtenu tous les fonctions d'onde completes de plus b a k e s Bnergies pour le centre F$ dans l'approximation d'orbitale mol6culaire. Ces fonctions sont am6liorbes prenant compte l'interaction entre des diffkrentes configurations. Nous montrons que 1'6tat fondamental est 'A, et que le premier &tat excite est lE. Les Bnergies de transition sont en raisonnable concordance avec la transition R+ observBe.