화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.13, 5123-5125, 2000
Improved efficiency with variational Monte Carlo using two level sampling
A two level sampling method is applied to variational Monte Carlo (VMC) that samples the one- and two-body parts of the wave function separately. The method is demonstrated on a single Li-2 molecule in free space and 32 H-2 molecules in a periodic box. This simple modification increases the efficiency of a VMC simulation by up to 72%.