Abstract
An integral representation is derived for the density matrix of two particles interacting via a Coulomb potential. In particular this representation yields a simple expression for the exchange term of the Slater sum of two identical particles which is suitable for numerical calculations. Results are given for several values of the parameter ξ=e 2/kT
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Work supported in part by the U.S. Army Research Office (Durham) under Grant No. DA-AROD-D31-124-G 783, and in part by the Air Force Office of Scientific Research under Grant No. AFORS-1015-67.
The author would like to acknowledge a travel grant from the Ministry of Scientific Research of the Federal Republic of Germany.
The author is much indebted for the kind hospitality extended to him by the Institute for Fluid Dynamics and Applied Mathematics of the University of Maryland, where this work has been done. The computations were performed on the IBM 7094 at the University of Maryland Computer Science Center.
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Baumgartl, B.J. Two-particle density matrix for Coulomb interaction. Z. Physik 217, 24–32 (1968). https://doi.org/10.1007/BF01390636
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DOI: https://doi.org/10.1007/BF01390636