Gitterdynamik der Ionenkristalle mit einer quantenmechanischen Behandlung der Ionendeformation

The problem of the electron-phonon coupling is selfconsistently solved by means of a Hartree-Fock approximation and a tight binding approximation for the wave functions. From this we derive a general system of equations of motion which involves both a polarization and a radial and axial deformation of the electronic shell of an ion. Moreover, it is shown under what restrictions the “breathing shell” model of Schröder can be derived.