Abstract

The full set of vibrational energies {Eυ} and the maximum vibrational quantum number υmax generated by an algebraic method (AM) are suggested to implement classical statistical thermodynamic formulae. This protocol is applied to study the molar vibrational internal energy, molar vibrational entropy and molar vibrational heat capacity of a macro-system consisting of the ground electronic state X1Σ+ of CO molecules. Comparisons of theoretical results with experimental measurements show that the AM statistical thermodynamic quantities are much better than those generated using beautiful analytical formulae that are based on the traditional simple harmonic oscillator (SHO) vibrational model, and that the suggested protocol can be extended to study statistical thermodynamic properties of any macro-diatomic system.

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