Related papers: IYPt is a highly polar, nonlinear triatomic molecu…
We revisited the electronic structure parameters used to interpret the hyperfine structure of neutral polonium. We used a computational scheme that treats relativistic and high-order electronic correlation effects within the coupled cluster…
The mixed-valent iridate Ba3InIr2O9 has been discussed as a promising candidate for quantum spin-liquid behavior. The compound exhibits Ir$^{4.5+}$ ions in face-sharing IrO6 octahedra forming Ir2O9 dimers with three t2g holes per dimer. Our…
Ytterbium (Yb) metal is divalent and nonmagnetic but would be expected under sufficient pressure to become trivalent and magnetic. We have carried out electrical resistivity and ac magnetic susceptibility measurements on Yb to pressures as…
Indacenodithiophene (IDT) based materials are emerging high performance conjugated polymers for use in efficient organic photovoltaics and transistors. However, their preparation generally suffers from long reaction sequences and is often…
We study the Lyapunov instability of a two-dimensional fluid composed of rigid diatomic molecules, with two interaction sites each, and interacting with a WCA site-site potential. We compute full spectra of Lyapunov exponents for such a…
By means of a diffusion Monte Carlo technique, we study one-dimensional unbalanced mixtures of fermionic Ytterbium atoms ($^{173}$Yb, $^{171}$Yb). This means clusters in which the total number of $^{173}$Yb particles is different from the…
In 16O and 40Ca an isoscalar, low-energy dipole transition (IS-LED) exhausting approximately 4% of the isoscalar dipole (ISD) energy-weighted sum rule is experimentally known, but conspicuously absent from recent theoretical investigations…
Biological systems rely on ions and molecules as information carriers rather than electrons, motivating the development of devices that interface with biochemical systems for sensing, information processing, and actuation via spatiotemporal…
We propose a novel type of Rydberg dimer, consisting of a Rydberg-state atom bound to a distant positive ion. The molecule is formed through long-range electric-multipole interaction between the Rydberg atom and the point-like ion. We…
The physical properties of cometary nuclei observed today relate to their complex history and help to constrain their formation and evolution. In this article, we review some of the main physical properties of cometary nuclei and focus in…
The charge density and pair correlation function of three interacting electrons confined within a two-dimensional disc-like hard wall quantum dot are calculated by full numerical diagonalization of the Hamiltonian. The formation of a…
The structure of self-bound one-dimensional droplets containing a mixture of Ytterbium fermionic isotopes ($^{173}$Yb, $^{171}$Yb) is calculated by means of a diffusion Monte Carlo technique. We considered only balanced setups in which all…
We study how the ionic core in a non-hydrogenic atom modifies the dynamics of a Rydberg electron in the presence of a weak static external field. We show that such a system is neither regular nor chaotic: its energy levels display unusual…
We analyze two simple model planar molecules: an ionic molecule with D3 symmetry and a covalent molecule with D6 symmetry. Both symmetries allow the existence of chiral molecular orbitals and normal modes that are coupled to each other in a…
We report structural studies of the spin-orbit Mott insulator family K$_x$Ir$_y$O$_2$, with triangular layers of edge-sharing IrO$_6$ octahedra bonded by potassium ions. The potassium content acts as a chemical tuning parameter to control…
We suggest that the newly observed resonance Y(4260) is a $\chi_{c}-\rho^0$ molecule, which is an isovector. In this picture, we can easily interpret why $Y(4260)\to \pi^+\pi^-J/\psi$ has a larger rate than $Y(4260)\to D\bar D$ which has…
We study a simple model consisting of an atomic ion and a polar molecule trapped in a single setup, taking into consideration their electrostatic interaction. We determine analytically their collective modes of excitation as a function of…
This Ph.D. tutorial discusses ultra-long-range Rydberg molecules, the exotic bound states of a Rydberg atom and one or more ground state atoms immersed in the Rydberg electron's wave function. This novel chemical bond is distinct from an…
Stable and unstable nuclei with neutron excess ($N>Z$) show - in the isovector dipole transition strength distribution - a small hump around the neutron emission threshold energy known as Pygmy Dipole Resonance (PDR). One of its main…
Electroactive polymers (EAP) are smart materials that can be used as actuators, sensors or energy harvesters in many fields. We had previously studied an ionic metal-polymer composites (IPMC), which consists in an ionic polymer film such as…