Title :
A reduced-order technique for the acceleration of electronic structure calculations
Author :
Penna, Michele ; Bertazzi, Francesco ; Goano, Michele
Author_Institution :
Dipt. di Elettron., Politec. di Torino, Torino, Italy
Abstract :
We propose a simple acceleration technique for the calculation of the electronic structure, based on the singular value decomposition. The efficiency and accuracy of the present approach are demonstrated in the case of the energy bands and overlap integrals of wurtzite ZnO determined with the empirical pseudopotential method.
Keywords :
II-VI semiconductors; conduction bands; pseudopotential methods; singular value decomposition; wide band gap semiconductors; zinc compounds; ZnO; electronic structure calculation; empirical pseudopotential method; energy band; overlap integral; reduced-order technique; singular value decomposition; Approximation methods; Charge carrier processes; Matrix decomposition; Periodic structures; Scattering; Spontaneous emission; Zinc oxide; Empirical Pseudopotential Method; Reduced Basis Methods; Singular Value Decomposition; ZnO;
Conference_Titel :
Computational Electronics (IWCE), 2010 14th International Workshop on
Conference_Location :
Pisa
Print_ISBN :
978-1-4244-9383-8
DOI :
10.1109/IWCE.2010.5677941