Exponential orbital-tail estimate of exchange
ID: exponential-orbital-tail-estimate-of-exchange
For localized orbitals with an exponential tail , overlap-mediated hopping over separation inherits an exponentially small factor , multiplied by geometry-dependent polynomial factors. A kinetic-exchange scale then falls approximately as . Comparisons must use actual nearest-neighbour distances, not interchange lattice constants between different crystal structures. The estimate is not a replacement for a screened solid-state orbital calculation.
New to topics? Read the docs here!