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Abstract A new, semi-empirical, method for the prediction of intermolecular forces introduced recently [Chem. Phys. Letters 36 (1975) 451] is assessed in the light of recently published dispersion forces coefficients and high precision SCF HF calculations of the repulsive interaction, performed by us, on closed shell spherical systems. The method is found to give very accurate predictions for systems with a small number of electrons and leads to the conclusion that those systems behave as the internal atomic correlation energy was almost independent from the interatomic distance. The extension of the method to heavier systems is discussed. Its application to the prediction of the potential in a mixture when the pure gas interactions are known is presented and the results shown to be satisfactory. The isotropic part of the interaction between two hydrogen molecules can also be described quite well using the same procedure.
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 499 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 1% | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 0.1% | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 1% |