[institut] Podsecanje, SCL seminar: Nenad Vukmirovic, petak 14. juni u 14:00

[Darko Tanaskovic]

Поштоване колегинице и колеге,

подсећам вас да ће се данас одржати најављени семинар.

Срдачан поздрав,
Дарко Танасковић



On 11 Jun 2013 17:05, Darko Tanaskovic wrote:
> Поштоване колегинице и колеге,
>
> Позивам вас на SCL семинар који ће у петак 14. јуна 2013. године у
> 14:00 у читаоници Института за физику да одржи Ненад Вукмировић (SCL,
> Институт за физику у Београду). Наслов семинара је:
>
>
> Overlapping fragments method for electronic structure calculations of
> large semiconducting systems
>
> Abstract:
>
> We present a method for the calculation of the electronic structure
> of semiconducting systems that contain tens of thousands of atoms. 
> The
> method is based on the division of the system into mutually
> overlapping fragments and the representation of the single-particle
> Hamiltonian in the basis of eigenstates of these fragments. In
> practice, for the range of the system size that we studied (up to 
> tens
> of thousands of atoms), the dominant part of the calculation scales
> linearly with the size of the system when all the states within a
> fixed energy interval are required [1].
>
> The method was then applied to calculate the electronic states in
> disordered semiconducting polymers. We find that the hole states are
> localized due to the fluctuations of the electrostatic potential and
> not by the breaks in the conjugation of the polymer chain. The tail 
> of
> the density of hole states exhibits an exponentially decaying 
> behavior
> [2].
>
> [1] N. Vukmirović and L.-W. Wang, J. Chem. Phys. 134, 094119 (2011).
> [2] N. Vukmirović and L.-W. Wang, J. Phys. Chem. B 115, 1792 (2011).
>
>
> Срдачан поздрав,
> Дарко Танасковић
>
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