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4.9 Summary

The details of implementing QMC methods were presented. The need for an efficient implementation at all levels was stressed: the Monte Carlo algorithms themselves, wavefunction evaluation, pseudopotential evaluation, wavefunction optimisation and parallelisation of the methods.

The accurate determination of physics results is critical to the entire field of simulation, and statistical methods for analysing simulation data and computing error bars were described.

All of these methods are used extensively in the following chapters.



© Paul Kent