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arXiv · 0803.0127

Long-range correlation energies and off-diagonal interactions for the $π$ electronic systems

Hua Zhao
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Abstract

The long-range correlation energies and the off-diagonal interactions are studied and a general formula for correlation energy $E_c$ of the $π$ electron systems is given, which is beyond the nearest-neighbor electron-electron interactions and includes the off-diagonal interactions. It is found that the effects of the off-diagonal interactions $W$ and $X$ on the correlation energies are opposite, but the influence of $X$ on the correlation energies is much stronger than that of $W$ on the correlation energies, and the correlation energies decrease with increasing the screening effect.

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Hua Zhao. 2008-08-09. Long-range correlation energies and off-diagonal interactions for the $π$ electronic systems. https://arxiv.org/abs/0803.0127

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