Now showing items 1-3 of 3
Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution
(IOP Publishing, 2010-08-31)
We prove that for a combined system of classical and quantum particles, it is possible to describe a dynamics for the classical particles that incorporates in a natural way the Boltzmann equilibrium population for the ...
Long-lived oscillatory incoherent electron dynamics in molecules: trans-polyacetylene oligomers
(IOP Publishing, 2013-04)
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of trans-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron ...
Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene
(IOP Publishing, 2014-09-09)
We have grown an atom-thin, ordered, two-dimensional multi-phase film in situ through germanium molecular beam epitaxy using a gold (111) surface as a substrate. Its growth is similar to the formation of silicene layers ...