Dependence of the Energy of Molecules on Interatomic Distance at Large Distances

Details Dependence of the Energy of Molecules on Interatomic Distance at Large Distances Dependence of the Energy of Molecules on Interatomic Distance at Large Distances

2000-11-21

arxiv.org/abs/physics/0011052v2

Computer Modelling and New Technologies, 2006. V. 10. No 1, 28 - 30 (www.tsi.lv)

Physics

General Physics

e-mail me istepanov@email.com, 6 pages; accepted at 32nd EGAS Conference, Vilnius, 2000

Scientific paper

Earlier it has been supposed that energy of molecules depends on interatomic distance according to the curve 1, Fig. 1. However, dissociation of molecules (for example, Te2=2Te) often is a chemical reaction. According to chemical kinetics, chemical reactions overcome a potential barrier. This barrier is absent at the curve 1. It is a very strong argument against the curve 1. It is shown that the molecule energy dependence on interatomic distance can behave at large distances not so but like the curve 2, Fig. 1. Earlier it has been supposed that quantum chemical methods give a wrong result at big distances if the wave function does not turn to zero. In this paper, it is been shown that it must not turn to zero. The wave function can be a piecewise function.

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