M. J. Rayson
Abstract
Activity: Quantum-chemical modelling of large nanostructures : Towards large-scale accurate Kohn-Sham DFT for the cost of tight-binding
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Activity: Quantum-chemical modelling of large nanostructures : Towards large-scale accurate Kohn-Sham DFT for the cost of tight-binding
Key concepts: Tight binding, Scale (ratio), Quantum, Quantum chemical, Nanostructure, Quantum dot, Statistical physics, Density functional theory