  We use a path integral quantum Monte Carlo method to simulate excitons and
biexcitons in core shell nanocrystals with Type-I, II and quasi-Type II band
alignments. Quantum Monte Carlo techniques allow for all quantum correlations
to be included when determining the thermal ground state, thus producing
accurate predictions of biexciton binding. These subtle quantum correlations
are found to cause the biexciton to be binding with Type-I carrier localization
and strongly anti-binding with Type-II carrier localization, in agreement with
experiment for both core shell nanocrystals and dot in rod nanocrystal
structures. Simple treatments based on perturbative approaches are shown to
miss this important transition in the biexciton binding. Understanding these
correlations offers prospects to engineer strong biexciton anti-binding which
is crucial to the design of nanocrystals for single exciton lasing
applications.
