%0 Journal Article %A Bacalis, Naoum C.%A %A Zdetsis, A. D. %D 2009 %T Properties of hydrogen terminated silicon nanocrystals via a transferable tight-binding Hamiltonian, based on ab-initio results %J Journal of Mathematical Chemistry %V 46 %@ 0259-9791 %R 10.1007/s10910-009-9557-x %I Springer %P 962–970 %N 3 %U https://hdl.handle.net/10442/12646 %X Tight-binding transferable parameters are created to reproduce ab initio energies of hydrogen-terminated Si-nanocrystals in order to extend the study of electronic and 0th order optical properties, through the HOMO-LUMO energy gap, to other larger or less symmetric silicon nanocrystals. For practical reasons the study is restricted to clusters where each Si atom has either three or no H neighbors. Results obtained so far are promising for future improvements and extensions to other systems. %> Αποθετήριο Ήλιος / ΕΙΕ