Publication | Closed Access
Dipole moments and potential energies of the alkaline earth monohalides from an ionic model
112
Citations
43
References
1984
Year
Solid-state IonicEngineeringPhysicsElectron SpectroscopyAlkaline Earth MonohalidesNatural SciencesIonic ConductorPhysical ChemistryRittner ModelComputational ChemistryQuantum ChemistryChemistryLarge Charge ShiftsPotential EnergiesIonic ModelAb-initio MethodIon StructureElectron Physic
It is shown that the Rittner model is inadequate for the calculation of dipole moments for the alkaline earth monohalides. A modified model is proposed which takes into account explicitly the large charge shifts in the metal ions arising from the polarization. The new model is shown to give results consistent with available experimental data.
| Year | Citations | |
|---|---|---|
Page 1
Page 1