کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1858966 | 1530557 | 2016 | 6 صفحه PDF | دانلود رایگان |

• 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.
Journal: Physics Letters A - Volume 380, Issues 5–6, 15 February 2016, Pages 712–717