Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology

General Theory and Methods Chapter 7

Hopping and Correlation Effects in Atomic Clusters and Networks

Authors: I.O. Kulik

Affilation: Bilkent University, Turkey

Pages: 196 - 199

Keywords: atomic cluster, mesoscopic system, persistent current, superconducting network, sparse matrix

Exact solution for hopping and correlation effects in atomic clusters and mesoscopic/nanoscopic networks is outlined. The program translates the Hamiltonian operator of the cluster written in terms of second-quantized creation and annihilation operators, to sparse matrix of (extremely) large dimension and solves the latter with the help of new compiler termed ABC (\Advanced Basic-C" compiler/convertor/programmer). The ABC creates a stand-alone executable or, if proved necessary, source C-code received from the original program written in a simplified Quick Basic dialect. ABC employs mathematical functions including the complex variables, arbitrary precision floating-point numbers, special functions, standard mathematical routines (multidimensional integrals, eigenvalues of Hermitian matrices, in particular a new algorithm for sparce Hermitian matrices, etc.) and is appropriate to practically all software/hardware environments (Windows, OS/2, Linux and UNIX machines).

ISBN: 0-9708275-3-9
Pages: 218