Partner: Rubicelia Vargas

Universidad Autónoma Metropolitana Iztapalapa (MX)

Recent publications
1.Young T.D., Vargas R., Garza J., A Hartree-Fock study of the confined helium atom: Local and global basis set approaches, PHYSICS LETTERS A, ISSN: 0375-9601, DOI: 10.1016/j.physleta.2015.11.021, Vol.380, pp.712-717, 2016
Abstract:

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.

Keywords:

Hartree–Fock method, Confined atom model, Galerkin finite element method, Modified Slater-type orbitals

Affiliations:
Young T.D.-IPPT PAN
Vargas R.-Universidad Autónoma Metropolitana Iztapalapa (MX)
Garza J.-Universidad Autónoma Metropolitana Iztapalapa (MX)