Publications of Viktor Atalla

Journal Article (10)

Journal Article
C. Park, 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).
Journal Article
V. Atalla, 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).
Journal Article
F. Knuth, 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).
Journal Article
F. Caruso, 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
S.C. Smith, 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).
Journal Article
O.T. Hofmann, 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
V. Atalla, 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
N. Marom, 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: a journal of the Gesellschaft Deutscher Chemiker 52 (26), 6629–6632 (2013).
Journal Article
N. Marom, 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: eine Zeitschrift der Gesellschaft Deutscher Chemiker 125 (26), 6761–6764 (2013).
Journal Article
E. Malic, 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)

Thesis - PhD
V. Atalla: Density-functional theory and beyond for organic electronic materials. Technische Universität Berlin
Go to Editor View