Correlation of Isotope Effects with Molecular Forces, I. The Diatomic Molecule*

AUTOR(ES)

Bigeleisen, Jacob

RESUMO

The convergence properties of the individual terms in the finite orthogonal polynomial expansion of the partition function of a harmonic oscillator are examined as a function of the energy of the oscillator and the temperature of the system (u = ε/kT). The convergence of each term depends on the number of terms in the polynomial and the variable u. The jth term approaches within 1% of its asymptotic value when the order of the polynomial, n, equals (u/π) + j + 1.

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