The one-center one-electron integral
Hμμ
This represents the energy an electron in atomic orbital
fm
would have if all electrons were removed from the system.
This is approximated by adding on to the one-electron energy
of the atomic orbital in the fully ionized atom the
potential due to all the other nuclei in the system. The
one-electron energy is obtained parametrically, and is given
the symbol
Uμν.
Hμν
is derived from the fundamental
equation
Hμμ = Uμμ -ΣΒ ≠Α
ZB<μμ|BB>
by equating the core-electron integral
<μμ|BB> to the corresponding
two-electron integral, thus:
<μμ|BB> = ZB<μμ|ss>