Correlation energy strong

The zero differential overlap approximation can be applied in the localized representation. This was demonstrated by calculating for C H, CioTfio and C14//14, respectively the total energy corrections and the pair correlation energies through second and third order in different approximations. When the strongly local contributions were only... 

The RHF model leads to a reasonably accurate description of H2 around the equilibrium geometry computed bond distance is 0.735 A (exp 0.746 A) and the bond energy is 84 kcal/mol (exp 109 kcal/mol). It is typical for the RHF model that it is able to describe closed shell systems around their equilibrium geometry rather well. The correlation energy is only a small fraction of the total energy., but it is strongly distance dependent, which explains the error in... 

In the framework of the bipolaron hypothesis, the trap energy U in Eq. (2) corresponds to the bipolaron correlation energy. The relatively small U estimated from the temperature dependence of the decay data in PQT-12 and the strong drop of the initial trapping rate at low temperature [22] are consistent with the assumption... 

Moreover, the spin density over the soliton, instead of being uniform, is alternatively positive and negative. This result provides strong evidence for the role of the correlation energy. The high mobility of solitons was proved by dynamic nuclear polarization experiments [69]. 

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