Abstract
The self-consistent APW band calculation for the body centered tetragonal structure La2CuO4, which is a proper reference material for the study of the origin of high-temperature superconductivity in (La1-xMx)2CuO4 compounds, has been done using the local density approximation. The bonding-antibonding splitting of the Cu 3d(x2-y2) and O 2p states results in a pair of subbands of about 0.58 Ry width. The half-filled antibonding band has the two dimensional property and nearly square Fermi surface.
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