Speaker
Prof.
Steven Karataglidis
(University of Johannesburg)
Description
A systematic strategy for the algebraic calculation of density functionals consists in coding information about the density and the energy into polynomials of the degrees of freedom of the wave functions. Density functionals and Kohn-Sham potentials are then obtained by standard elimination procedures of such degrees of freedom between the polynomials. Numerical examples illustrate the formalism.
| Level (Hons, MSc, <br> PhD, other)? | Other |
|---|---|
| Consider for a student <br> award (Yes / No)? | No |
| Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)? | Yes |
Primary author
Prof.
Steven Karataglidis
(University of Johannesburg)
Co-author
Prof.
Bertrand Giraud
(CEA/Saclay)
