Abstract
ABSTRACTThe article presents classical mechanics approach to thermodynamic properties of molecules at high temperatures which is based on a specific realisation of the idea of excluded volume and in the end avoids the use of second virial coefficient (in contrary to other approaches). The aim of this approach is to remove the negative contribution to the molecular partition function. The influence of the negative part on the partition function is investigated for the ground state of Na molecule. The full molecular partition functions (with bound, resonance and scattering contributions) are compared with the ones with negative contribution excluded. Additionally the applicability of the hard spheres repulsion is investigated and the comparison with an exact free (scattering) contribution is made.
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