A Generic Approach to Electronic Structure Calculations in Nanoscopic Systems

Details A Generic Approach to Electronic Structure Calculations in Nanoscopic Systems A Generic Approach to Electronic Structure Calculations in Nanoscopic Systems

2006-08-16

arxiv.org/abs/physics/0608162v1

Physics

Computational Physics

11.5 pages, one figure

Scientific paper

We outline a generic, flexible, modular, yet efficient framework to the computation of energies and states for general nanoscopic systems with a focus on semiconductor quantum dots. The approach utilizes the configuration interaction method, in principal obtaining all many-body correlations in the system. The approach exploits the powerful abstracting mechanisms of C++'s template facility to produce efficient yet general code. The primary utility of the present approach is not in the resulting raw computational speed, but rather in minimizing the time from initial idea to final results.

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