Speaker
Mr
Kossi Amouzouvi
(University of the Witwatersrand)
Description
We perform a Hartree+Exchange approximation on a finite one dimensional lattice of fractional particle number using the Hubbard Hamiltonian. The resulting approximate Kohn-Sham ground state wavefunction is then acted on by a Jastrow factor operator to retrieve the exact correlation energy and the interacting density that we use for a local density approximation (LDA) of the correlation energy in two different ways. The first approach makes use of the ensemble (fractional) density to get the energies and the second one interpolates the energies between integer particle numbers. An insight into the different results shows that the second approach is more promising and the underlying homogeneous energy density is suitable for applications of LDA.
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Main supervisor (name and email)<br>and his / her institution
Prof. Daniel Joubert
daniel.joubert2@wits.ac.za
National Institute for Theoretical Physics, School of Physics and Mandelstam Institute for Theoretical Physics, University of the Witwatersrand, Johannesburg, Wits 2050, South Africa.
Apply to be<br> considered for a student <br> award (Yes / No)?
Yes
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
Yes
Primary author
Mr
Kossi Amouzouvi
(University of the Witwatersrand)
Co-author
Prof.
Daniel Joubert
(School of Physics, University of the Witwatersrand)
