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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_0
Distribution 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 = 109 T.

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