Vp. Coropceanu et al., DOUBLE EXCHANGE IN MIXED-VALENCE POLYNUCLEAR CLUSTER - THE CONTRIBUTION OF MULTICENTER INTERACTION, Molecular physics, 90(3), 1997, pp. 465-474
A method to calculate the tunnelling state energy of mixed-valence clu
sters using a secondary quantization technique has been developed. Thi
s method makes it possible to obtain the analytical form for any matri
x elements existing in double-exchange theory and to determine the mic
rostructure of the parameters of this theory. The energy spectrum of t
rimeric mixed-valence systems d(1)-d(1)-d(2) and d(4)-d(4)-d(5) are ca
lculated, and the magnetic properties of these are investigated.