sdbands of liquid La

Abstract
The electronic structure of liquid La is calculated by applying the linear combination of atomic orbitals method to a cluster of 365 atoms. Although the s and d bands are of nearly the same width and are strongly hybridized in the solid, we find that in the liquid the s states retain their propagating character much more so than do the d states. This suggests, tentatively, that in the calculation of the conductivity it is more nearly correct to treat only the s electrons as current carriers than to regard both s and d electrons as conduction electrons.