Abstract
The statistical error in the ground state energy as calculated by Green's Function Monte Carlo (GFMC) is analyzed and a simple approximate formula is derived which relates the error to the number of steps of the random walk, the variational energy of the trial function, and the time step of the random walk. Using this formula it is argued that as the thermodynamic limit is approached withN identical molecules, the computer time needed to reach a given error per molecule increases asN h where 0.5 <b < 1.5 and as the nuclear chargeZ of a system is increased the computer time necessary to reach a given error grows asZ 5.5. Thus GFMC simulations will be most useful for calculating the properties of lowZ elements. The implications for choosing the optimal trial function from a series of trial functions is also discussed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
