Dynamical correlation, short-range

For (Li, Cs)Cl, the internal mobilities have been calculated from Eqs. (27) and (28), and are given in Table 8. The SEVs were calculated from the same MD runs and are plotted against the calculated internal mobilities in Fig. 17 with excellent correlation between these calculated quantities. The good correlation of the SEV with the calculated and experimental internal mobilities suggests that relatively short-range cation-anion interaction plays a role in internal mobilities and the separating motion of pairs, that is dissociation, is related to the internal mobilities. In other words, the result of the SEV supports the dynamic dissociation model. 

Femtosecond spectroscopic investigations in the spectral range 400-880 ran have permitted to discriminate specific OH effects on the dynamics of short lived UV excited CTTS states and transient near-IR (HO e )H20 pairs. The complex nature of ultrafast prehydration elementary redox reactions with nascent OH radical (strong acid) must be contemplated in the framework of ion-pairs dynamics, ion-solvent correlation function, short-range ordering water molecules, solvent screening or anisotropic electric field effects and short-time vibronic couplings. 

There are two types of electron correlation static and dynamic. The static correlation is related to the behavior of HF method at the dissociation limit of the molecule and deals with the long range behavior of this approach. On the other hand dynamic electron correlation is related to the electron repulsion term and is the reciprocal function of a distance between two electrons and thus represents short range phenomena. However, it should be noted that the electron correlation in the HF method is included in the indirect manner by the consideration of an electronic motion in an effective potential field due to the nuclei and the rest of the electrons and due to the inclusion of electron spin. Therefore, despite the known shortcomings, HF method has been extensively used in chemical calculations and has been quite successful for systems which are not extensive for electron correlation. 

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