In this article, the coupled-cluster method
CCSD/aug-cc-pVTZ is employed to calculate a few van der Waals (vdW)
systems, including dimer of hydrogen molecule, hydrogen-helium and
hydrogen-neon complexes. The corresponding electronic
density difference and graphics are also plotted. Based on the analysis of the
graphs, it is suggested that the essence of intermolecular vdW interaction is
the electron sharing between the interacting molecules under the repulsion and restriction
of paired electrons, exhibiting the equilibrium between the repulsion and
attraction of paired electrons, and showing directionality and saturation. vdW
interaction is a kind of chemical effect accompanied by electron transfer,
which satisfies equalization principle ofelectronegativity.
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