Publikationen von Viktor Atalla
Alle Typen
Zeitschriftenartikel (10)
1.
Zeitschriftenartikel
9 (32), S. 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 2.
Zeitschriftenartikel
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 3.
Zeitschriftenartikel
190, S. 33 - 50 (2015)
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications 4.
Zeitschriftenartikel
90 (8), 085141 (2014)
First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory. Physical Review B 5.
Zeitschriftenartikel
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 6.
Zeitschriftenartikel
15 (12), 123028 (2013)
Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory. New Journal of Physics 7.
Zeitschriftenartikel
88 (16), 165122 (2013)
Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach. Physical Review B 8.
Zeitschriftenartikel
52 (26), S. 6629 - 6632 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition 9.
Zeitschriftenartikel
125 (26), S. 6761 - 6764 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie 10.
Zeitschriftenartikel
106 (9), 097401 (2011)
Microscopic Model of the Optical Absorption of Carbon Nanotubes Functionalized with Molecular Spiropyran Photoswitches. Physical Review Letters Hochschulschrift - Doktorarbeit (1)
11.
Hochschulschrift - Doktorarbeit
Density-functional theory and beyond for organic electronic materials. Dissertation, Technische Universität, Berlin (2013)