An efficient first-principle approach for electronic structures calculations of nanomaterials.

Bin Gao Jun Jiang Kai Liu Ziyu Wu Wei Lu Yi Luo An efficient first-principle approach for electronic structures calculations of nanomaterials. 434-444 2008 29 Journal of Computational Chemistry 3 http://dx.doi.org/10.1002/jcc.20799 db/journals/jcc/jcc29.html#GaoJLWLL08