J. C. Slater
Phys. Rev. 81, 385 – Published 1 February 1951
Abstract
It is shown that the
Hartree-Fock equations can be regarded as ordinary Schrödinger equations
for the motion of electrons, each electron moving in a slightly
different potential field, which is computed by electrostatics from all
the charges of the system, positive and negative, corrected by the
removal of an exchange charge, equal in magnitude to one electron,
surrounding the electron whose motion is being investigated. By forming a
weighted mean of the exchange charges, weighted and averaged over the
various electronic wave functions at a given point of space, we set up
an average potential field in which we can consider all of the electrons
to move, thus leading to a great simplification of the Hartree-Fock
method, and bringing it into agreement with the usual band picture of
solids, in which all electron are assumed to move in the same field. We
can further replace the average exchange charge by the corresponding
value which we should have in a free-electron gas whose local density is
equal to the density of actual charge at the position in question; this
results in a very simple expression for the average potential field,
which still behaves qualitatively like that of the Hartree-Fock method.
This simplified field is being applied to problems in atomic structure,
with satisfactory results, and is adapted as well to problems of
molecules and solids.
©1951 American Physical Society
- Received 28 September 1950
To download the article click on the link below:
https://journals.aps.org/pr/abstract/10.1103/PhysRev.81.385
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