Title :
A Generic Approach to Electronic Structure Calculations in Nanoscopic Systems
Author :
Kyriakidis, Jordan
Abstract :
The generic programming facilities of C++ allow the creation of efficient yet flexible computational systems. The Diagon framework describes the computation of energies and states for general quantum nanoscopic systems. Specifically, it uses the configuration interaction method to obtain all the many-body correlations of the system.
Keywords :
C++ language; electronic engineering computing; electronic structure; nanotechnology; semiconductor quantum dots; C++ language; Diagon framework; computational system; configuration interaction; electronic structure calculation; generic programming; many-body correlations; quantum nanoscopic system; semiconductor quantum dot; Electrons; Machinery; Monte Carlo methods; Nanostructures; Orbital calculations; Particle production; Quantum computing; Quantum dots; Quantum mechanics; Stationary state; nanoscopic systems; scientific programming; semiconductors;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/MCSE.2008.2
