Berlin 2012 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 45: Correlated Electrons: Poster Session

TT 45.97: Poster

Donnerstag, 29. März 2012, 15:00–19:00, Poster B

Symmetry properties of the U-matrix — •Hermann Ulm and Erik Koch — German Research School for Simulation Sciences, Forschungszentrum Jülich and RWTH Aachen University, 52425 Jülich

We present a simple method of calculating Gaunt coefficients in the basis of spherical harmonics. Considering these coefficients as a 3-dimensional tensor gives us flexibility in choosing basis. We tabulate the Gaunt coefficients in spherical, semi cubic, cubic bases for d- and f-electrons. Moreover, it allows us to study the symmetry properties of the full Û-matrix easily. We finally present an elegant way of calculating relations between U and J parameters and Slater integrals and give a proof of their invariance.