Morosi Gabriele, Tarasco Silvia
The use of explicitly correlated wave functions in conjunction with Variational and Diffusion Monte Carlo techniques is reviewed. The functional forms investigated are explicitly correlated exponentials, exponentials of Pade's approximants, Jastrow functions and the product of determinants and a correlation factor. Results for four and six electron systems, namely the anions Li— and B—, are presented.
Jul 30, 2014
May 23, 2014
|Explicitly Correlated Wave Functions in Quantum Monte Carlo||Jul 30, 2014|