PHYSICAL PROPERTIES OF IONS, IONIC AND SEMICONDUCTING COMPOUNDSElectronic structure calculations for actinide compounds

— In this paper we describe the use of muffin tin orbital techniques, employed in a variety of approximations, to help understand the band structure and bonding in actinide metals and compounds. Simple methods of assessing bandwidfhs and placings, readily accessible to experimentalists, are reviewed for both metals and compounds and their limitations discussed. Examples from the uranium monopnictides and chalcogenides, where a band structure approach is likely to be valid, are presented. Special emphasis is placed upon the mixing of the f-d bands of uranium with the p-bands of the pnictogen.