Self-consistent electronic structures of CaO and BaO.

Springborg M., Taurian O.E.

The LMTO method is used to calculate the band structure of the alkaline-earth oxides CaO and BaO. The cohesive energy, the bulk modulus and the equilibrium lattice constant are also calculated. The results are compared with experiments and other theoretical calculations.

Journal of Physics C, 19 6347-55, 1986.

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