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Fock operator for closed shell system

  1. Jan 9, 2007 #1
    Hey,

    The Fock operator for a closed system is given by

    f = H(core) + sum (2*f - k)

    where f is the Coulomb operator and k is the exchange operator. The summation goes from 1 to N/2. My questions is why is the summation to N/2 and why does one have to multiply the Coulomb operator by 2?

    Thanks in advance

    Best regards
     
  2. jcsd
  3. Jan 9, 2007 #2
    N/2 is due to each orbital has to electrons hence 2*Coulombic.
     
  4. Jan 9, 2007 #3

    Gokul43201

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    Correct. The spatial part of the single-particle wavefunctions for the two electrons in the same orbital are identical.
     
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