Theory of complete orthonormal relativistic vector wave function sets and Slater type relativistic vector orbitals in coordinate, momentum and four-dimensional spaces

Abstract

The new analytical relations for the relativistic vector wave functions and Slater type relativistic vector orbitals in coordinate, momentum and four-dimensional spaces are derived using the properties of quasirelativistic vector spherical harmonics introduced by the author in previous paper (I.I. Guseinov, J. Math. Chem., 44, 197 (2008)) and complete orthonormal scalar basis sets of nonrelativistic ψ α -exponential type orbitals (ψ α -ETO), \({\phi ^{\alpha}}\)-momentum space orbitals (\({\phi ^{\alpha}}\)-MSO) and z α -hyperspherical harmonics (z α -HSH). The 6-component relativistic vector wave functions obtained are complete without the inclusion of the continuum. The relativistic vector wave function sets and Slater type relativistic vector orbitals are expressed through the corresponding quasirelativistic vector wave functions and Slater vector orbitals, respectively. The analytical formulas are also derived for overlap integrals over Slater type relativistic vector orbitals with the same screening constants in coordinate space.