Modeling Excitation Energies of Quantum Dots based on First Principles Data

Wave function ab initio methods are prohibitively expensive for determination of excited states of large systems such as quantum dots. In this work, we present a method for determination of excitaton energies of large systems having more than 10,000 electrons. The method is based on the use of a semi-empirical hamiltonian appropriately parameterized to reproduce ab initio "EOM-CCSD" excitation energies of small systems. The same set of parameters is then extended to the calculation of excited state properties of large systems. Our results compare well with EOM-CCSD, TDDFT, and CIS(D) results whenever they are available.