Subject: HARTREE-FOCK HCORE OPERATOR--QUESTION

From: "E. Lewars" <[email-masked]>
Date: Fri, 27 Mar 1998 10:51:17 -0500 (EST)

1998  March 27

Hello,

In the Hartree-Fock treatment the energy of an atom or molecule is

                  E = 2 SIGMA H + SIGMA SIGMA (2J - K)

     where        H = Integral psi* H/\core psi dtau

  H/\core is the operator for the energy of an atomic or molecular electron,
ignoring interelectronic repulsions.

  QUESTION:  Why is this operator called H core?  And where did this
  name first appear in the literature?

                    Thanks    E. Lewars

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