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In this case,
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|
|
(2.7) |
We write this explicitly with wave functions which are products of orbital wave functions
and spinors
,
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(2.8) |
and take advantage of the fact that the interaction
does not depend on spin.
Then, Eq. (IV.2.6) becomes
Using our direct and exchange term notation, Eq. (III.2.23), we can write this in a very simple form as a sum over direct terms
and exchange terms
,
Here, we recognize that we actually don't need the restriction
in the double sum: this term is zero anyway.
Note that Eq. (IV.2.9) refers to states
which are simple Slater determinants. It cannot be used, e.g., for states like the
singlet or triplet which are linear combinations
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|
(2.11) |
because these would lead to mixed terms
|
|
|
(2.12) |
in the expectation value!
Next: Hartree-Fock Equations
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Tobias Brandes
2005-04-26