Advances and applications in the F IREBALL ab initio tight-binding molecular-dynamics formalism.

Lewis, James P.; Jelínek, Pavel; Ortega, José; Demkov, Alexander A.; Trabada, Daniel G.; Haycock, Barry; Wang, Hao; Adams, Gary; Tomfohr, John K.; Abad, Enrique; Wang, Hong; Drabold, David A.

Physica Status Solidi (B), 2011, Vol 248, Issue 9, p1989

0370-1972

Academic Journal

10.1002/pssb.201147259