Girifalco potential

Similarly good agreement between experiment and theory in this case, an analytically derived, rather than DFT, prediction - is observed for the Ceo-Ceo potential shown in Fig. 15(b). The Girifalco potential accurately models our experimental data both in terms of the depth and the width of the intermolecular interaction curve. Deviations at intermolecular... 

Alonso JA, Girifalco LA (1978) Nonlocal approximation to exchange potential and kinetic energy in an inhomogenous electron gas, Phys. Rev. B, 17 3735—3743... 

This equation is somewhat similar to that of Girifalco and Good [11], except that these authors used a parameter in the last term (-2 NTy7 ) and did not distinguish between surface tensions resulting from various types of intermolecular forces. The values of were about 0.5 for water-hydrocarbon interfaces. The Berthelot relation in Equation 1 is not exact, as can be shown by the London pair potentials, but is seldom in error by more than 2%, and the geometric mean is applied to only the interacting contributions to the surface tension. 

Girifalco, LA. and Weizer, V.G. (1959) Application of the Morse potential function to cubic metals. Phys. Rev., 114, 587-590. 

Alonso, J. A., Girifalco, L. A. (1978). Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gas. Phys. Rev. BIT, 3735-3743. Al-Oweini, R., El-Rassy, H. (2009). Synthesis and characterization by FUR spectroscopy of silica aerogels prepared using several Si(OR)4 and R00Si(OR0)3 precursors. J. Mol. Struct 919,140-145. 

Yoon and Ohr derived an expression for the compressibility of hard-sphere fluids in terms of the radial free space distribution function, (r), which is the probability of acceptance of a (radial) displacement, r, in a Monte Carlo simulation.Alemany et al. performed MD simulations of liquid 50 and calculated its diffusion coefficient and shear viscosity. They simulated a system of 1372 Ceo molecules interacting through Girifalco s potential. 

Polar interactions are divided into Keesom forces,arising from molecules with permanent dipoles and Debye forces caused by a molecule with permanent dipole inducing a dipole in a neighboring molecule by polarization. Later, Good and Girifalco showed that their contributions in condensed phases are not important. Nevertheless, they can also be well described by a Lennard-Jones potential though mathematically associated with non-polar interactions. 

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