Numerical Evaluation of Quantum Effects on Transport Cross Sections

S. Imam-Rahajoe, C. F. Curtiss, Richard B. Bernstein

The Journal of Chemical Physics · 1965 · 46 citations · 15 references

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Abstract

Quantum-mechanical calculations of the transport cross sections Q(1)☆ and Q(2)☆ and the associated Ω(n,t)☆ integrals for a Lennard-Jones (12, 6) potential are discussed. The computations are made for three values of the quantum parameter Λ* (=1, 2, 3), and include the effect of statistics. The quantum effects become quite important at reduced temperatures T* below about unity. The quantum corrections to the integrals are negative at moderate temperatures, but become positive at higher temperatures.

References

15