Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1858966 | Physics Letters A | 2016 | 6 Pages |
•Two different basis set methods for atomic Hartree–Fock theory.•Galerkin finite element method and modified Slater-type orbitals.•Confined atom model (helium) under small-to-extreme confinement radii.•Detailed analysis of the electron wave-function and the cusp condition.
Two different basis set methods are used to calculate atomic energy within Hartree–Fock theory. The first is a local basis set approach using high-order real-space finite elements and the second is a global basis set approach using modified Slater-type orbitals. These two approaches are applied to the confined helium atom and are compared by calculating one- and two-electron contributions to the total energy. As a measure of the quality of the electron density, the cusp condition is analyzed.