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...

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Bibliographic Details
Main Authors: Bernasconi, L, Wilson, M, Madden, P
Format: Journal article
Language:English
Published: 2001