Pseudopotential Portability in the Qmc Framework

ABSTRACTWe have calculated the binding energies of several two-electron pseudoions using the Diffusion Quantum Monte Carlo method. The comparison between our results and the experiment suggests that HSC pseudopotentials are portable from the original single particle theory (DFT-LDA) to the “exact” many body one. Moreover we are able to evaluate the degree of portability of each effective field.