抄録
New optical absorption bands in KCl containing Ag− ions, all of which have the identical fluorescent emission at 678 nm, are investigated theoretically by adopting the model that these bands arise from the transitions between the electronic energy levels of a pair of Ag− ions occupying the two adjacent anion sites in KCl. The wave functions based on the LCAO approximation are used under the assumption that any product of two overlap integrals is negligible in comparison with unity. Further the Mulliken approximation is adopted to estimate various two-center integrals. By assigning some observed bands to optically allowed transitions in a satisfactory way, the parameters contained in the matrix elements of the Hamiltonian are determined. By use of these parameters, the intensities and the energies of forbidden transitions are calculated and then they are compared with experiments. The agreement is quite good.
