Diagonalisation of quantum observables on regular lattices and general graphs

Published: 1 April 2011| Version 1 | DOI: 10.17632/4jrk39rvvb.1
Niall Moran, Graham Kells, Jiri Vala


Abstract In the study of quantum mechanical systems, exact diagonalisation (ED) methods play an extremely important role. We have developed an ED code named DoQO (Diagonalisation of Quantum Observables). This code is capable of constructing and diagonalising the observables for spin 1 2 and spinless fermionic particles with many body interactions on arbitrary graphs using massively parallel distributed memory machines. At the same time, the code can exploit physical symmetries to reduce the size of th... Title of program: DoQO Catalogue Id: AEII_v1_0 Nature of problem To calculate the low lying eigenvalues and eigenstates of quantum observables for spin 1/2 and spinless fermionic systems on arbitrary graphs efficiently in parallel. Versions of this program held in the CPC repository in Mendeley Data AEII_v1_0; DoQO; 10.1016/j.cpc.2010.12.051 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics