Publications of Viktor Atalla

Journal Article (10)

2017
Journal Article
Park, C., V. Atalla, S. Smith and M. Moon: Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF−TCNQ as an Example. ACS Applied Materials and Interfaces 9 (32), 27266–27272 (2017).
2016
Journal Article
Atalla, V., I.Y. Zhang, O.T. Hofmann, X. Ren, P. Rinke and M. Scheffler: Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation. Physical Review B 94 (3), 035140 (2016).
2015
Journal Article
Knuth, F., C. Carbogno, V. Atalla, V. Blum and M. Scheffler: All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications 190, 33–50 (2015).
2014
Journal Article
Caruso, F., V. Atalla, X. Ren, A. Rubio, M. Scheffler and P. Rinke: First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory. Physical Review B 90 (8), 085141 (2014).
Journal Article
Smith, S.C., M. Yoon, C. Park, V. Atalla and M. Scheffler: Understanding charge-transfer phenomena in a canonical electron donor-acceptor complex: Tetrathiafulvalene (TTF)-Tetracyanoquinodimethane (TCNQ). Abstracts of Papers of the American Chemical Society 247, Enfl 349 (2014).
2013
Journal Article
Atalla, V., M. Yoon, F. Caruso, P. Rinke and M. Scheffler: Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach. Physical Review B 88 (16), 165122 (2013).
Journal Article
Hofmann, O.T., V. Atalla, N. Moll, P. Rinke and M. Scheffler: Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory. New Journal of Physics 15 (12), 123028 (2013).
Journal Article
Marom, N., R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition 52 (26), 6629–6632 (2013).
Journal Article
Marom, N., R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie 125 (26), 6761–6764 (2013).
2011
Journal Article
Malic, E., C. Weber, M. Richter, V. Atalla, T. Klamroth, P. Saalfrank, S. Reich and A. Knorr: Microscopic Model of the Optical Absorption of Carbon Nanotubes Functionalized with Molecular Spiropyran Photoswitches. Physical Review Letters 106 (9), 097401 (2011).

Thesis - PhD (1)

2013
Thesis - PhD
Atalla, V.: Density-functional theory and beyond for organic electronic materials. Technische Universität Berlin
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