CoreShellShell, a quantum dot excitonic energy and charge density calculator
Abstract
This program calculates electron and hole charge distributions for a spherical semiconductor quantum dot that may have up to three different materials in concentric shells (core-barrier-shell), each with different valence and/or conduction band potentials. It calculates the four lowest s-type (zero angular momentum) electron wavefunctions and the eight lowest s-type hole wavefunctions using the effective mass approximation particle in a sphere model. It then uses the excitons produced from these pairs of single-particle wavefunctions as a basis set for a configuration interaction calculation of the electron-hole interaction energy, resulting in final electron and hole densities and state energies.
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