Abstract
AbstractThe equilibrium density, the corresponding binding energy, the equation of state at T = 0°K, the isothermal compressibility, and the pressure derivative of the bulk modulus of 11 simple metals are calculated by pseudopotential theory, using the Xα‐approximation for the exchange and correlation interactions. The agreement with experiment is satisfactory. It is shown that the best possible description of the atomic wave functions within the Xα‐theory is a good approximation for the core wave functions in the metal and that the magnitude of the conduction band‐core exchange interaction is strongly dependent upon the overlap of the conduction‐ and the core electron densities.
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