Publications of Viktor Atalla
All genres
Journal Article (10)
Journal Article
9 (32), pp. 27266 - 27272 (2017)
Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF−TCNQ as an Example. ACS Applied Materials and Interfaces
Journal Article
94 (3), 035140 (2016)
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
Journal Article
190, pp. 33 - 50 (2015)
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications
Journal Article
90 (8), 085141 (2014)
First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory. Physical Review B
Journal Article
247, Enfl 349 (2014)
Understanding charge-transfer phenomena in a canonical electron donor-acceptor complex: Tetrathiafulvalene (TTF)-Tetracyanoquinodimethane (TCNQ). Abstracts of Papers of the American Chemical Society
Journal Article
15 (12), 123028 (2013)
Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory. New Journal of Physics
Journal Article
88 (16), 165122 (2013)
Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach. Physical Review B
Journal Article
52 (26), pp. 6629 - 6632 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker
Journal Article
125 (26), pp. 6761 - 6764 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker
Journal Article
106 (9), 097401 (2011)
Microscopic Model of the Optical Absorption of Carbon Nanotubes Functionalized with Molecular Spiropyran Photoswitches. Physical Review Letters Thesis - PhD (1)
Thesis - PhD
Density-functional theory and beyond for organic electronic materials. Dissertation, Technische Universität, Berlin (2013)