V. Atalla

发表

Density-functional theory and beyond for organic electronic materials

Matthias Scheffler, Viktor Atalla, Andreas Knorr, 2013 .

Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory

M. Scheffler, P. Rinke, V. Atalla, 2013, 1310.2097.

Modeling the core-hole screening in jellium clusters using density functional theory

V. Atalla, 2012 .

Many-body dispersion interactions in molecular crystal polymorphism.

A. Tkatchenko, J. Chelikowsky, R. Distasio, 2012, Angewandte Chemie.

All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

Matthias Scheffler, Viktor Atalla, Christian Carbogno, 2015, Comput. Phys. Commun..

Microscopic model of the optical absorption of carbon nanotubes functionalized with molecular spiropyran photoswitches.

S. Reich, V. Atalla, A. Knorr, 2011, Physical review letters.

Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation

Matthias Scheffler, Patrick Rinke, Oliver T. Hofmann, 2016 .

Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach

Matthias Scheffler, Patrick Rinke, Viktor Atalla, 2013 .

Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF-TCNQ as an Example.

Sean C. Smith, V. Atalla, M. Yoon, 2017, ACS applied materials & interfaces.