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Tight binding (TB) models are one approach to the quantum mechanical manyparticle problem. An important role in TB models is played by hopping andoverlap matrix elements between the orbitals on two atoms, which of coursedepend on the relative positions of the atoms involved. This dependence can beexpressed with the help of Slater-Koster parameters, which are usually takenfrom tables. Recently, a way to generate these tables automatically waspublished. If TB approaches are applied to simulations of the dynamics of asystem, also derivatives of matrix elements can appear. In this work we givegeneral expressions for first and second derivatives of such matrix elements.Implemented in a computer program they obviate the need to type all therequired derivatives of all occuring matrix elements by hand.Comment: 11 pages, 2 figure

Automatic generation of matrix element derivatives for tight binding models