Abstract
The nonpenetrating approximation appears to be the simplest way to allow one to incorporate nonadiabatic effects in the polarization potential calculated by means of the polarized orbital method. Unfortunately, this approximation is not well suited for an efficient implementation in quantum chemistry codes which, nowadays, use exclusively Gaussian-type orbitals. This computational limitation is remedied by replacing the incident point charge by a spherical Gaussian charge distribution, the exponent of which is suitably chosen. In so doing, we obtain a very efficient numerical algorithm that may be used with any molecular target regardless of its complexity or geometry.
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