Density matrices and holes

Kieron Burke
University of California, Irvine (UCI)

I will introduce reduced density matrices in terms of the wavefunction and specifically the first-order reduced density matrix and the pair correlation function. I will define the exchange-correlation hole, and show how it appears in simple cases. I will discuss sum rules on the holes and the locality of the ontop hole.


Back to Putting the Theory Back in Density Functional Theory