Coupling constants correlation with physical properties

Correlation of Coupling Constants with Other Physical Properties... 

CORRELATION OF COUPLING CONSTANTS WITH OTHER PHYSICAL PROPERTIES... 

Dynamic properties, such as the self-diffusion constant, are likewise strongly correlated with the dipole moment. This coupling between the translational motion and the dipole moment is indicated in the dielectric spectrum. Models that are overpolarized tend to undergo dynamics that are significantly slower than the real physical system. The inclusion of polarization can substantially affect the dynamics of a model, although the direction of the effect can vary. When a nonpolarizable model is reparameterized to include polarizability, the new model often exhibits faster dynamics, as with polarizable versions of TIP4P, ° Reimers-Watts-Klein and reduced... 

Upon increasing distance from the critical point, this crossover model provides a continuous transformation from Ising-like behavior asymptotically close to the critical point to mean-field behavior far away from the critical point. Due to the critical fluctuations, the position of the actual critical temperature is shifted with respect to the mean-field critical temperature Tc. The critical temperature shift Tg = (Tc — Tc)/Tc can be estimated from different properties such as the inverse susceptibility or the order parameter. These different estimates of Tg are all proportional to a unique combination of the crossover parameters (rg uA /ct). The transformation is generally controlled by two physical parameters the coupling constant u and the ratio A/k or, equivalently, by the ratio of the correlation length over the microscopic characteristic length d-... 

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