Presenter:
Christopher
Rinderspacher
University:
University of Georgia
Program:
CSGF
Year:
2004
The energy of GFT depends on the generating geminal in a highly non-linear fashion. Derivatives are complicated and use a lot of computation time. Instead linear search, quasi-Newton-Raphson and iterative methods have been tested. The latter, which were inspired by Hartree-Fock (HF) self-consistent field (SCF) methods, show adequate convergence and systematically improve on HF SCF energies.