title: Electrostatic damping functions and the penetration energy.
abstract: The use of damping functions to correct the multipole expansion at short-range is explored. Damping functions for the terms in the multipole expansion can be determined ab initio as a linear combination of analytic functions of the separation between sites, but there are additional short-range terms that have different angular dependence. The approach provides a detailed ab initio description of the penetration energy correction to the multipole expansion in an easily comprehensible form.
authors: University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom. ajs1@cam.ac.uk
authors: Anthony J
authors: AJ
authors: Stone