摘要
A theoretical formula has been developed for the calculation of polarization energy in ionic erystals by using the concept of effective nuclear charge and theorems in electrostatics Up=-1/2 NBZ^*e^2α r0^A This applies to all types of crystals, i.e., nonstandard as well as standard type erystals with a small polarization energy. Ionic polarization energies of 393 compounds and lattice energies of 330 compounds were calculated with this formula, and the agreement between calculated and experimental values is generally good.
A theoretical formula has been developed for the calculation of polarization en-ergy in ionic crystals by using the concept of effective nuclear charge and theoremsin electrostatics U_p=-1/2NBZ^(*2)E^2α/r_0~4This applies to all types of crystals, i.e., nonstandard as well as standard type crystalswith a small polarization energy. Ionie polarization energies of 393 compounds andlattice energies of 330 compounds were calculated with this formula, and the agree-ment between calculated and experimental values is generally good.
出处
《地球化学》
CAS
1975年第1期35-41,共7页
Geochimica
