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
Simulation of femtosecond two-dimensional electronic spectra of conical intersections
The Journal of Chemical Physics
2015
143
074308
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
Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes
The Journal of Chemical Physics
2015
142
16
164106
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
Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations
The Journal of Chemical Physics
2015
142
10
104307
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
Photoinduced water splitting via benzoquinone and semiquinone sensitisation
Phys. Chem. Chem. Phys.
2015
17
48
32183-32193
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
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