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Manuscript Title: Accurate 2d finite element calculations for hydrogen in magnetic fields of arbitrary strength | ||

Authors: C. Schimeczek, G. Wunner | ||

Program title: H2db | ||

Catalogue identifier: AERB_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 185(2014)614 | ||

Programming language: Fortran95. | ||

Computer: 1 HP Compaq dc5750. | ||

Operating system: Linux. | ||

RAM: At least 2 GByte | ||

Keywords: Magnetic field, Atomic data, B-spline, Finite element, Hydrogen. | ||

PACS: 31.15.ac, 31.15.ag, 95.30.Ky. | ||

Classification: 2.1. | ||

External routines: Lapack (http://www.netlib.org/lapack/) | ||

Nature of problem:The hydrogen problem in the presence of a magnetic field of arbitrary strength shall be solved for all states up to a principal quantum number of n = 10. We obtain the full energy vs. field strength function within a certain precision. | ||

Solution method:We expand the wave functions in a 2d B-spline basis, vary the corresponding energy functional for the B-spline coefficients and solve the resulting generalised eigenvalue problem. The B-spline basis parameters are adapted iteratively to ensure the overall precision of our results. | ||

Restrictions:Non-relativistic Hamiltonian, non-moving atom. | ||

Unusual features:Automated analysis of the states at magnetic field strengths from B = 0T to B = 10^{9} T. | ||

Running time:Seconds to minutes per single result; hours to days for a full analysis. |

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