
A charge patching method and an idealized surface passivation are used to calculate the single electronic states of IV-IV, III-V, II-VI semiconductor quantum dots up to a thousand atoms. This approach scales linearly and has a 1000-fold speed-up compared to direct first-principles methods with a cost of eigenenergy error of about 20 meV. The calculated quantum dot band gaps are parametrized for future references.
Passivation, Atoms, 36 Materials Science, Quantum Dots, 530, Materials science
Passivation, Atoms, 36 Materials Science, Quantum Dots, 530, Materials science
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