Related papers: A general algebraic model for molecular vibrationa…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
A study is presented of the localisation of excitonic states on extended molecular aggregates composed of identical monomers arising, not from disorder due to statistical energy shifts of the monomers, induced by environmental interactions…
The boundary sheath of a low temperature plasma comprises typically only a small fraction of its volume but is responsible for many aspects of the macroscopic behavior. A thorough understanding of the sheath dynamics is therefore of…
When a laser pulse impinges on a molecule which is invariant under certain symmetry operations selection rules for harmonic generation (HG) arise. In other words: symmetry controls which channels are open for the deposition and emission of…
In this work we present a method to build in a systematic way a many-body quon basis state. In particular, we show a closed expression for a given number N of quons, restricted to the permutational symmetric subspace, which belongs to the…
Following our previous papers concerning the quantization of the vacuum Bianchi-IX model within or beyond the Born-Oppenheimer and adiabatic approximation, we develop a more elaborate analysis of the dynamical properties of the model based…
Understanding the vibrational and thermal properties of amorphous solids is one of the most discussed and long-standing issues in condensed matter physics. Recent works have made significant steps towards understanding harmonic vibrational…
We construct integrable generalised models in a systematic way exploring different representations of the gl(N) algebra. The models are then interpreted in the context of atomic and molecular physics, most of them related to different types…
By using Supersymmetric Quantum Mechanics and Semiclassical Quantization, one may argue that the low-lying excited states of any quantum system can be modeled by a set of harmonic oscillators. In the present paper, we fit the experimental…
Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as one of the typical potential of interaction for one-dimensional microscopic…
General positivity constraints linking various powers of observables in energy eigenstates can be used to sharply locate acceptable regions for the energy eigenvalues, provided that efficient recursive methods are available to calculate the…
We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary…
For any orthogonal polynomials system on real line we construct an appropriate oscillator algebra such that the polynomials make up the eigenfunctions system of the oscillator hamiltonian. The general scheme is divided into two types: a…
The study of diatomic molecules plays a central role in the understanding of the chemical bond. For their simplicity, they serve as a model for the study of more complex molecular systems. In this article, we solve the rovibrational…
Inspiralling and coalescing binary black holes are promising sources of gravitational radiation. The orbital motion and gravitational-wave emission of such system can be modelled using a variety of approximation schemes and numerical…
We derive octupole-level secular perturbation equations for hierarchical triple systems, using classical Hamiltonian perturbation techniques. By extending previous work done to leading (quadrupole) order to octupole level (i.e., including…
This study focuses on extending the concept of weak signal enhancement from dynamical systems based on vibrational resonance of nonlinear systems, to non-smooth systems. A Van der Pol- Duffing oscillator with a one-sided barrier, subjected…
The use of dynamical symmetries or spectrum generating algebras for the solution of the nuclear many-body problem is reviewed. General notions of symmetry and dynamical symmetry in quantum mechanics are introduced and illustrated with…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
By performing constant-pressure variable-cell ab initio molecular dynamics simulations we find a quadrupolar orthorhombic structure, of $Pca2_1$ symmetry, for the broken symmetry phase (phase II) of solid H2 at T=0 and P =110 - 150 GPa. We…