Related papers: Probing rotational wave-packet dynamics with the s…
We present a computational scheme for predicting the ligands that bind to a pocket of known structure. It is based on the generation of a general abstract representation of the molecules, which is invariant to rotations, translations and…
We derived simple polynomial equations to determine the entire resonance spectra of split ring structures. For double stacking split rings made with flat wires, we showed that the resonance frequency depends linearly on the ring-ring…
Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although formally understood, the complex relation between structure…
The two-dimensional spectroscopy has recently revealed oscillatory behavior of excitation dynamics in molecular systems. However, in the majority of cases it is strongly debated if excitonic or vibrational wavepackets, or evidences of…
The rotational constant parametrizes the relative spacing between a molecule's rotational energy levels. It depends on the molecule's classical moments of inertia, which, in all studies, are expressed by treating the constituent nuclei as…
The rotation vibration spectra of small molecules can be described mathematically completely. Unfortunately, no vivid interpretation of the observed transitions exists. A qualitative interpretation attempt is undertaken for symmetric top…
We investigate the low-lying spectra of many-body systems with random two-body interactions, specifying that the ensemble be invariant under particle-hole conjugation.Surprisingly we find patterns reminiscent of more orderly interactions,…
The peculiarities of coherent spin radiation by magnetic nanomolecules is investigated by means of numerical simulation. The consideration is based on a microscopic Hamiltonian taking into account realistic dipole interactions.…
For a large class of quantum mechanical models of matter and radiation we develop an analytic perturbation theory for non-degenerate ground states. This theory is applicable, for example, to models of matter with static nuclei and…
We review the essentials of the formalism of quantum mechanics based on a deformed Heisenbeg algebra, leading to the existence of a minimal length scale. We compute in this context, the energy spectra of the pseudoharmonic oscillator and…
Relying on the quantization rule of Raab and Friedrich [Phys. Rev. A (2009) in press], we derive simple and accurate formulae for the number of rotational states supported by a weakly bound vibrational level of a diatomic molecular ion. We…
We report an experimental and theoretical study of the evolution of vibrational coherence in a thermal ensemble of nitrogen molecules. Rotational dephasing and rephasing of the vibrational coherence is detected by coherent anti-Stokes Raman…
We study a LiCs strongly-interacting molecular gas loaded into an one-dimensional optical lattice at quarter filling. The molecules are in the lowest electronic and vibrational state, $X^{1}\Sigma$ ($\nu=0$). Due to the large intermolecular…
We show that quantum rotational wavepacket dynamics in molecules can be described by a new system-environment model, which consists of a rotational subsystem coupled to a magnetically tunable spin bath formed by the nuclear spins within the…
We perform a detailed analysis of high-order harmonic generation in diatomic molecules within the strong-field approximation, with emphasis on quantum-interference effects. Specifically, we investigate how the different types of electron…
An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
Solutions of the system of evolutionary equations in the short-wavelength approximation are found and studied. A connection is established between the problem of the evolution of short-wavelength gravitational-scalar perturbations and the…
We study an experimental system of hard granular squares in two dimensions, energized by vibration. The interplay of order in the orientations and positions of anisotropic particles allows for a rich set of phases. We measure the structure…
We show how the small perturbations of a linear cocycle have a relative rotation number associated with an invariant measure of the base dynamics an with a $2$-dimensional bundle of the finest dominated splitting (provided that some…