TY - JOUR
T1 - Quantum mechanical perturbation expansion for thé second virial coefficient and the ursell-mayer function
AU - Baer, S.
AU - Ben-Shaul, A.
PY - 1972
Y1 - 1972
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=36849110882&partnerID=8YFLogxK
U2 - 10.1063/1.1677777
DO - 10.1063/1.1677777
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AN - SCOPUS:36849110882
SN - 0021-9606
VL - 56
SP - 3773
EP - 3782
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
IS - 8
ER -