Improved efficiency with variational Monte Carlo using two level sampling

Details Improved efficiency with variational Monte Carlo using two level sampling Improved efficiency with variational Monte Carlo using two level sampling

2000-07-07

arxiv.org/abs/physics/0007015v1

J. Chem. Phys. 113, 5123 (2000)

Physics

Computational Physics

Scientific paper

10.1063/1.1311288

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%.

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