This is the course blog for Semester 1, 2011 at the University of Queensland
5/5/11
Limitations of Hartree Approximation
1. The Pauli principle doesnot hold good for many body approximations. 2. The total energy calculation comes to be positive i.e. electron gas is unstable. Are there some more limitations?
The inclusion of the exchange term to make the Hartree equations into the Hartree-Fock equations significantly increases the difficulty of solving them. So it could be said that a major limitation is the fact that the only situations in which they can practically be solved are in ideal or over-simplified cases.
I found on page 24 on this link http://etheses.nottingham.ac.uk/919/1/thesis.pdfthree more limitation of Hartree Approximation.
ReplyDeleteA clear practical limitation could simply be the amount of computational power required in the calculations.
ReplyDeleteThe inclusion of the exchange term to make the Hartree equations into the Hartree-Fock equations significantly increases the difficulty of solving them. So it could be said that a major limitation is the fact that the only situations in which they can practically be solved are in ideal or over-simplified cases.
ReplyDelete