Gaussian overlap

G. Ayton and G. Patey, A Generalized Gaussian Overlap Model for Fluids of Anisotropic Particles, J. Chem. Phys. 102 (1995) 9040 ... 

The conventional pH range for CIEF is pH 3-10. Narrow-range gradients can be created by selecting custom ampholyte blends (e.g., pH 6-8). To avoid problems such as a step-gradient or the creation of water zones, the narrow-range ampholyte solution is usually supplemented with 20% pH 3-10 ampholytes. This ensures that there are sufficient ampholyte species to produce Gaussian overlaps. 

Kairys Y, Jensen JH. Evaluation of the charge penetration energy between non-or-thogonal molecular orbitals using the spherical Gaussian overlap approximation. Chem Phys Lett 1999 315 140-144. 

The electrostatic interactions in a molecule are determined by the structure of the density matrix D. In constructing D from an atomic orbital or atomic spinor basis, we incorporate a lot of redundant information in the Gaussian overlap charge distributions, since most of the electron density is concentrated near the nuclei. One should therefore try to transform D into a block diagonal form in which each dense block corresponds to a one-centre density so that the... 

Cc is the radial Gaussian overlap parameter, which determines the widths of the Gaussian functions, as explained in Ref. 59. 

Thus, not surprisingly, applications to nontrivial cases had to rely on either approximations (in nuclear physics, preference was given to the Gaussian overlap approximation [9]) or numerical solutions (see Section 5). 

It has become attractive to consider a CG particle as ellipsoid because this treatment can give a reasonable approximation to the anisotropic nature of a cluster of atoms. The Gay-Beme anisotropic potential [55, 56] is actually based on a Gaussian-overlap potential [57], and in this work the Gay-Beme anisotropic potential energy function [/qb is represented by the functional form ... 

Thus, the Gaussian overlap model generates a strength parameter e and a range parameter a that are determined by the relative orientation of the two molecules. These two parameters may now be used in any of a variety of two-parameter potentials that have been proposed to describe atomic interactions. For example, we may use e(ui, U2) and o-(Ui, O2, r) in the Lennard-Jones (12-6) potential... 

A working alternative to the ISM for the short-ranged interaction is the Gaussian overlap model [24]. The energy and length parameters are defined in terms of the overlap of Gaussian cores. 

The properties of Gaussian overlap distributions are easily inferred from those of the constituent Gaussians. We note in particular the trivial relationships... 

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