Multi-electron systems in strong magnetic fields I: The 2D Landau–Hartree–Fock–Roothaan method

Published: 1 January 2014| Version 1 | DOI: 10.17632/x7kf96rdj3.1
C. Schimeczek, G. Wunner


Abstract We present a 2-dimensional Hartree-Fock-Roothaan code to calculate wave functions and energies of light to heavy atoms in strong external magnetic fields, as they occur in the vicinity of neutron stars. The code enhances the previously presented HFFER II method, resulting in a very high precision for the energies with typical deviations less than 1% compared to extremely precise fixed-phase diffusion quantum Monte Carlo calculations. Despite this high precision the code is highly optimized re... Title of program: 2DLHFR Catalogue Id: AETE_v1_0 Nature of problem The modelling of highly magnetised atmospheres of neutron stars and magnetic white dwarfs is a difficult task and is further complicated by the lack of atomic data. The absorption features in the thermal emission spectra of neutron stars are still not fully understood, which leads to different interpretations and thus large uncertainties for the atmospheric parameters, such as the magnetic field strength, the gravitational redshift, or the predominant atomic composition. Therefore, a fast and re ... Versions of this program held in the CPC repository in Mendeley Data AETE_v1_0; 2DLHFR; 10.1016/j.cpc.2014.05.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Atomic Physics, Computational Physics