Author/Authors :
Mella، نويسنده , , Massimo and Lüchow، نويسنده , , Arne and Anderson، نويسنده , , James B.، نويسنده ,
Abstract :
An improved transition matrix for variational Monte Carlo calculations is proposed. This matrix allows the use of larger time steps than the usual Langevin-based transition matrix and provides efficient sampling of electron positions in both the core and valence regions. Its efficiency and accuracy in predictions of energies for hydrogen-like systems and for the neon atom are demonstrated.
