Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields

Details Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields

2000-06-07

arxiv.org/abs/physics/0006017v1

Physics

Atomic Physics

20 pages, 7 figures

Scientific paper

Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and molecules in strong external fields where neither the external field nor the internal interactions can be considered as a perturbation. The applications of the present approach include calculations of atoms and diatomic molecules in strong static electric and magnetic fields. For the latter we have carried out Hartree-Fock calculations for He, Li, C and several other atoms. This yields in particular the first comprehensive investigation of the ground state configurations of the Li and C atoms in the whole range of magnetic fields (0

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