A simple local pseudopotential for lithium

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Abstract
The authors propose a simple local pseudopotential for lithium composed of a Hartree potential due to the nucleus and the core electrons, a core-valence exchange-correlation potential in the local density functional approximation and a repulsive delta -function potential, which represents the orthogonalisation effect due to the s core states. The pseudopotential can be expressed in simple analytic form, specified with only one parameter, both in real and in inverse space. It is shown that a number of the more basic physical quantities, depending upon calculated form factors and effective pair potentials, can be simultaneously described within a rather limited range of the parameter.