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Issue DateTitleAuthor(s)
5-Jul-1999A density functional study of lithium bulk and surfacesDoll, K; Harrison, NM; Saunders, VR
16-Feb-1996Direct evidence of O(p) holes in Li-doped NiO from Hartree-Fock calculationsMackrodt, WC; Harrison, NM; Saunders, VR; Allan, NL; Towler, MD
5-Mar-2001Analytical Hartree-Fock gradients for periodic systemsDoll, K; Saunders, VR; Harrison, NM
15-Jan-1998Transition metal materials: a first principles approach to the electronic structure of the insulating phaseHarrison, NM; Saunders, VR; Dovesi, R; Mackrodt, WC