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Limits of Variance minimisation

The preceding sections have outlined the development of the variance minimisation procedure. They describe how to perform optimisations on progressively more complicated systems such as those with new u functions and non-local pseudopotentials and how to increase the accuracy of the optimisation procedure by increasing the size of the ensemble of configurations and using parallel computers.

Variance minimisation itself is only a means to an end. Namely, providing wavefunctions for VMC and DMC calculations.

Andrew Williamson
Tue Nov 19 17:11:34 GMT 1996