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We put forward a generalized procedure is which allows to restore thebulk-like electron and hole wave functions from the wave functions of quantumconfined electron/hole states obtained in atomistic calculations. The procedureis applied to the lead chalcogenide quantum dots and the effective Hamiltonianof the exchange interaction for the ground state of an exciton localized in PbSand PbSe quantum dots was extracted. The results demonstrate that the matrixelements of intravalley exchange in PbS quantum dots are much more anisotropicthan ones in PbSe.

Untangling the valley structure of states for intravalley exchange anisotropy in lead chalcogenides quantum dots