2 papers
physics.comp-ph2018
BOPfox program for tight-binding and analytic bond-order potential calculations
T. Hammerschmidt, B. Seiser, M. E. Ford +11
Bond-order potentials (BOPs) provide a local and physically transparent description of the interatomic interaction. Here we describe the efficient implementation of analytic BOPs i…
cond-mat.mtrl-sci2016
Comparison of analytic and numerical bond-order potentials for W and Mo
Miroslav Cak, Thomas Hammerschmidt, Ralf Drautz
Bond-order potentials (BOPs) are derived from the tight-binding (TB) approximation and provide a linearly-scaling computation of the energy and forces for a system of interacting a…