Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO<inf>3</inf> calcite

Article

Abstract: The static and high frequency dielectric tensors, Born effective charges, vibrational spectrum at th

Palabras claves:

Ab Initio Simulation, Calcite, IR Intensities, Vibrations

Autores:

Doll K., Dovesi R., Fernando Javier Torres, Pascale F., Valenzano L., Zicovich-Wilson C.M.

Fuentes:

google

scopus