Search results for "Physics - Atomic and Molecular Clusters"
showing 6 items of 26 documents
Theory and experimental verification of Kapitza–Dirac–Talbot–Lau interferometry
2009
Kapitza-Dirac-Talbot-Lau interferometry (KDTLI) has recently been established for demonstrating the quantum wave nature of large molecules. A phase space treatment permits us to derive closed equations for the near-field interference pattern, as well as for the Moire-type pattern that would arise if the molecules were to be treated as classical particles. The model provides a simple and elegant way to account for the molecular phase shifts related to the optical dipole potential as well as for the incoherent effect of photon absorption at the second grating. We present experimental results for different molecular masses, polarizabilities and absorption cross sections using fullerenes and fl…
Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays
2014
Under the terms of the Creative Commons Attribution License 3.0 (CC-BY).-- et al.
Hall–Post inequalities: Review and application to molecules and tetraquarks
2019
A review is presented of the Hall–Post inequalities that give lower-bounds to the ground-state energy of quantum systems in terms of energies of smaller systems. New applications are given for systems experiencing both a static source and inner interactions, as well as for hydrogen-like molecules and for tetraquarks in some quark models. In the latter case, the Hall–Post inequalities constrain the possibility of deeply-bound exotic mesons below the threshold for dissociation into two quark–antiquark mesons. We also emphasize the usefulness of the Hall–Post bounds in terms of 3-body energies when some 2-body subsystems are ill defined or do not support any bound state.
Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits.
2021
Abstract To design molecular spin qubits with enhanced quantum coherence, a control of the coupling between the local vibrations and the spin states is crucial, which could be realized in principle by engineering molecular structures via coordination chemistry. To this end, understanding the underlying structural factors that govern the spin relaxation is a central topic. Here, we report the investigation of the spin dynamics in a series of chemically designed europium(II)‐based endohedral metallofullerenes (EMFs). By introducing a unique structural difference, i. e. metal‐cage binding site, while keeping other molecular parameters constant between different complexes, these manifest the ke…
Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
2013
Molecular absorption and photoelectron spectra can be efficiently predicted with real-time time-dependent density functional theory. We show herein how these techniques can be easily extended to study time-resolved pump-probe experiments, in which a system response (absorption or electron emission) to a probe pulse is measured in an excited state. This simulation tool helps with the interpretation of fast-evolving attosecond time-resolved spectroscopic experiments, in which electronic motion must be followed at its natural timescale. We show how the extra degrees of freedom (pump-pulse duration, intensity, frequency, and time delay), which are absent in a conventional steady-state experimen…
Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene
2014
arXiv:1403.5408