Computational Physics - Department of Physics

14.5 Variational Monte Carlo for atoms 481

Initialize:

Setrold,α

andΨT−α(rold)

Suggest

a move

Compute

acceptance

ratioR

Generate a

uniformly

distributed

variabler

Is

R≥r?

Reject move:

rnew=rold

Accept move:

rold=rnew

Last

move?

Get local

energyEL

Last

MC

step?

Collect

samples

End

yes

no

yes

yes

no

Fig. 14.3Chart flow for the Quantum Varitional Monte Carlo algorithm.