This protocol automates calculations of intermolecular charge transfer energy using the space-based plane-separated protocol introduced in ref. [1].

Note that
1) a development version of deMon is needed for these calculations
2) the other protocol defined in the paper[1], using Hirshfeld population analysis with fragment densities, is the preferred way how to calculate the charge transfer energy.

  1. Řezáč, J.; de la Lande, A. J. Chem. Theory Comput. 2015, 11 (2), 528–537.