Abstract
Starting from a quantum mechanical diagrammatic expansion of the grand partition function 3, and of the coefficients Vbi in the activity expansion of 3, and making a term by term passage to the limit of classical nuclear motion, results in a corresponding diagrammatic expansion of the Ursell functions U l (R1, ⋯ Rl). Presently only the expansion of the Ursell-Mayer function f(R) has been explicitly examined and the terms up to second order perturbation theory, including exchange, have been evaluated. The truncated expansion gives a reasonably accurate expression of f(R) for long and medium range distances (R≥4a0) and within this range can be transformed, to the same order of accuracy, into the classical standard form f(R) =exp[-u(R)]-1, although in principle an exact formulation in such a form is not necessarily possible.
| Original language | English |
|---|---|
| Pages (from-to) | 3773-3782 |
| Number of pages | 10 |
| Journal | The Journal of Chemical Physics |
| Volume | 56 |
| Issue number | 8 |
| DOIs | |
| State | Published - 1972 |
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