Pseudopotentials for correlated-electron calculations

We describe a semiempirical method for constructing pseudopotentiaIs for use in correlated wave-function calculations which involves using a combination of calculated and experimental quantities. The pseudopotentials are generated from single-valence-electron configurations and satisfy a norm-conservation condition. Core relaxation and core-polarization effects are taken into account. Detailed results for a typical atom with s and p valence electrons (silicon) and a transition metal atom (titanium) are given. The method works very well for silicon but is not satisfactory for titanium.