Complete and orthonormal sets of exponential-type orbitals with non-integer quantum numbers

Abstract

Atomic and molecular orbitals show exponential decrease at long range. Complete orthonormal basis sets for atoms should satisfy this criterion. A number of such bases have been used in physics (e.g. Coulomb Sturmians). The challenge of this work is first adapting Slater type Orbitals for this role, as they are not radially orthogonal. Even more important is their generalisation to non-integer quantum numbers that have applications for configuration interaction (CI). This generalisation requires the whole apparatus of non-integer calculus that is presented using the Riemann-Liouville approach.