Abstract
The intermolecular potential surface was constructed for the carbon dioxide dimer for use in molecular simulations of the fluid state, including the super-critical region. During this procedure, peculiar potential curves were found for several specific configurations. There exist one maximum at the long distance region and one minimum at the short distance near 3.3 Å. This peculiar minimum appeared after including the electronic correlation effect. The origin of this minimum is discussed in detail.
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