X-ray standing wave simulations based on Fourier vector analysis as a method to retrieve complex molecular adsorption geometries
Frontiers in Physics
2014
Role of Physisorption States in Molecular Scattering: A Semilocal Density-Functional Theory Study on
Phys. Rev. Lett.
2014
112
15
Quantitative determination of a nano-object's atom density without atomic resolution
Physical Review B
2014
90
16
Spin effects and the Pauli principle in semiclassical electron dynamics
Physical Review A
2014
89
Signatures of conical intersections in two-dimensional electronic spectra
J. Phys. B: At. Mol. Opt. Phys.
2014
47
12
124019
Markovian master equation for a classical particle coupled with arbitrary strength to a harmonic bath
J. Chem. Phys.
2014
141
21
214109
Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver
J. Chem. Phys.
2014
141
14
144703
Vibrational spectra and structures of bare and Xe-tagged cationic SinOm+ clusters
J. Chem. Phys.
2014
141
10
104313
Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone
J. Chem. Phys.
2014
141
074311
Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
J. Chem. Phys.
2014
140
10
104105