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In this paper, optical and electronic properties of diamond shaped graphenequantum dots (DQDs) have been studied by employing large-scaleelectron-correlated calculations. The computations have been performed usingthe \pi-electron Pariser-Parr-Pople model Hamiltonian, which incorporateslong-range Coulomb interactions. The influence of electron-correlation effectson the ground and excited states has been included by means of theconfiguration-interaction approach, used at various levels. Our calculationshave revealed that the absorption spectra are red-shifted with the increasingsizes of quantum dots. It has been observed that the first peak of the linearoptical absorption, which represents the optical gap, is not the most intensepeak. This result is in excellent agreement with the experimental data, but instark contrast to the predictions of the tight-binding model, according towhich the first peak is the most intense peak, pointing to the importance ofelectron-correlation effects.

Theory of Linear Optical Absorption in Diamond Shaped Graphene Quantum Dots