Bhattacharyya, Swarnendu;Dai, Zuyang;Domcke, Wolfgang
Quantum dynamics on a three-sheeted six-dimensional ab initio potential-energy surface of the phosphine cation: Simulation of the photoelectron spectrum and the ultrafast radiationless decay dynamics
The Journal of Chemical Physics
2015
143
19
194301

Krčmář, Jindřich;Gelin, Maxim F.;Domcke, Wolfgang
Simulation of femtosecond two-dimensional electronic spectra of conical intersections
The Journal of Chemical Physics
2015
143
074308

Sun, Ke-Wei;Gelin, Maxim F.;Chernyak, Vladimir Y.;Zhao, Yang
Davydov Ansatz as an efficient tool for the simulation of nonlinear optical response of molecular aggregates
The Journal of Chemical Physics
2015
142
21
212448

Chen, Lipeng;Gelin, Maxim F.;Domcke, Wolfgang;Zhao, Yang
Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes
The Journal of Chemical Physics
2015
142
16
164106

Kubas, Adam;Hoffmann, Felix;Heck, Alexander;Oberhofer, Harald;Elstner, Marcus;Blumberger, Jochen
Erratum: “Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations” [J. Chem. Phys. 140, 104105 (2014)]
The Journal of Chemical Physics
2015
142
12
129905

Belyaev, Andrey K.;Domcke, Wolfgang;Lasser, Caroline;Trigila, Giulio
Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations
The Journal of Chemical Physics
2015
142
10
104307

Picconi, David;Grebenshchikov, Sergy Yu.
Intermediate photofragment distributions as probes of non-adiabatic dynamics at conical intersections: application to the Hartley band of ozone
Phys. Chem. Chem. Phys.
2015
17
43
28931-28942

Karsili, Tolga N. V.;Tuna, Deniz;Ehrmaier, Johannes;Domcke, Wolfgang
Photoinduced water splitting via benzoquinone and semiquinone sensitisation
Phys. Chem. Chem. Phys.
2015
17
48
32183-32193

Wang, Zhengbang;Heinke, Lars;Jelic, Jelena;Cakici, Murat;Dommaschk, Marcel;Maurer, Reinhard J.;Oberhofer, Harald;Grosjean, Sylvain;Herges, Rainer;Bräse, Stefan;Reuter, Karsten;Wöll, Christof
Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs
Phys. Chem. Chem. Phys.
2015
17
22
14582-14587

Kubas, Adam;Gajdos, Fruzsina;Heck, Alexander;Oberhofer, Harald;Elstner, Marcus;Blumberger, Jochen
Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II
Phys. Chem. Chem. Phys.
2015
17
22
14342-14354