Cation polarizability from first-principles: Sn2+

Generalized Gradient Corrected Density Functional Theory calculations have been performed on SnO in the gas phase. The total charge density of the molecular system has been partitioned between Sn and O using a Wannier localization transformation of the Kohn Sham eigenvectors, and the single-ion dipo...

ver descrição completa

Detalhes bibliográficos
Principais autores: Bernasconi, L, Wilson, M, Madden, P
Formato: Journal article
Idioma:English
Publicado em: 2001