Related papers: The S$_0$(0) structure in highly compressed hydrog…
We investigate the influence of hydrogen on the electronic structure of a binary transition metallic glass of V$_{80}$Zr$_{20}$. We examine the hybridization between the hydrogen and metal atoms with the aid of hard x-ray photoelectron…
Oscillations in the probability density of quantum transitions of the eigenstates of a chaotic Hamiltonian within classically narrow energy ranges have been shown to depend on closed compound orbits. These are formed by a pair of orbit…
Assuming the validity of random matrices for describing the statistics of a closed chaotic quantum system, we study analytically some statistical properties of the S-matrix characterizing scattering in its open counterpart. In the first…
The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…
By employing first-principles metadynamics simulations, we explore the 300 K structures of solid hydrogen over the pressure range 150-300 GPa. At 200 GPa, we find the ambient-pressure disordered hexagonal close-packed (hcp) phase transited…
The states of hydrogen atom with principal quantum number n <= 3 and zero magnetic quantum number in constant homogeneous magnetic field H are considered. The perturbation theory series is summed with the help of Borel transformation and…
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level picture of classical and quantum ordering of protons in cold high-pressure solid hydro-gen. We focus mostly on phases II and III of hydrogen,…
The high-pressure phases of solid hydrogen are of fundamental interest and relevant to the interior of giant planets; however, knowledge of these phases is far from complete. Particle swarm optimization (PSO) techniques were applied to a…
Electronic structure calculations for compressed molecular hydrogen are performed to provide more insight into the diversity of phenomena recently observed experimentally. We perform full-potential LAPW calculations and analyze them in…
We observe a structural phase transition between two configurations of a superradiant crystal by coupling a Bose-Einstein condensate to an optical cavity and applying imbalanced transverse pump fields. We find that this first order phase…
We studied the statistical properties of the HI-to-H$_2$ transition observed in absorption in the local diffuse and multiphase ISM to identify the physical processes controlling the probability of occurrence of any line of sight. The…
High resolution spectroscopy of the hydrogen atom takes on particular importance in the new SI, as it allows to accurately determine fundamental constants, such as the Rydberg constant and the proton charge radius. Recently, the second most…
We present extensive molecular dynamics (MD) simulations investigating numerous candidate crystal structures for hydrogen in conditions around the present experimental frontier (400GPa). Spontaneous phase transitions in the simulations…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
Fine-structure transitions can be involved in various processes including photon absorption, charge transfer and inelastic collision between ions, electrons and neutral atoms. We present fine-structure excitation and relaxation cross…
Conclusive crystal structure determination of the high pressure phases of hydrogen remains elusive due to lack of core electrons and vanishing wave vectors, rendering standard high-pressure experimental methods moot. Ab-initio DFT…
The rotational sublevels of the key (000) and (010) vibrational states of the H2S molecule were modeled with an accuracy close to experimental uncertainty using the generating function and Euler approaches. The predictive ability of the…
We present a numerical technique employing the density of partition function zeroes (i) to distinguish between phase transitions of first and higher order, (ii) to examine the crossover between such phase transitions and (iii) to measure…
{We study in some details the statistical properties of the turbulent 2-phase interstellar atomic gas.{We present high resolution bidimensional numerical simulations of the interstellar atomic hydrogen which describe it over 3 to 4 orders…
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…