Nonrelativistic configuration interaction calculations for the ground state of the vanadium atom

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Abstract
A new scheme for constructing L2, Lz, S2, Sz eigenfunctions within the Hartree–Fock interacting subspace has been used to generate a first‐order configuration‐interaction wavefunction for the ground 4F state of the vanadium atom in the nonrelativistic approximation. The basis set consisted of 62 Slater‐type orbitals, with l up to 5, transformed to Hartree–Fock orbitals in the ’’occupied’’ subspace and to pseudonatural orbitals in the ’’virtual’’ subspace. Approximately 70% of the correlation energy was recovered with 500 configurations (1023 terms formed from 31 496 Slater determinants). The charge density, momentum density, x‐ray scattering factor, and Compton profile were computed from both the CI and SCF wavefunctions.