Atomic and Molecular Clusters
Due to the dominant electron capture by positrons from the molecular wall and the spatial dephasing across the wall-width, a powerful diffraction effect universally underlies the positronium (Ps) formation from fullerenes. This results into…
Considering the photoionization of Ar@C60 and Kr@C60 endofullerenes, the decay of C60 innershell excitations through the outershell continuum of the confined atom via the inter-Coulombic decay (ICD) pathway is detailed. Excitations to…
For the asymmetric spherical dimer of an endohedrally confined atom and a host fullerene, an innershell vacancy of either system can decay through the continuum of an outer electron hybridized between the systems. Such decays, viewed as…
Photoelectron spectroscopy earlier probed oscillations in C60 valence emissions, producing series of minima whose energy separation depends on the molecular cavity. We show here that the quantum phase at these cavity minima exhibits…
Powerful hybridization of the Cd 4$d$ state with the $d$-angular momentum state of C$_{60}$ $\pi$ symmetry is found in the local density approximation (LDA) structure of Cd@C$_{60}$ ground state. The photoionization of the resulting…
Considering the photoionization of Ar@C60, we predict resonant femtosecond decays of both Ar and C60 vacancies through the continua of atom-fullerene hybrid final states. The resulting resonances emerge from the interference between…
With the aim of describing bound and continuum states for diatomic molecules, we develop and implement a spectral method that makes use of Generalized Sturmian Functions (GSF) in prolate spheroidal coordinates. In order to master all…
This review presents a concise, yet comprehensive discussion on the evolution of theoretical methods employed to determine the ground and excited states of molecules in weak and strong magnetic fields. The weak-field cases have been studied…
Extensive infrared spectra of the weakly-bound CO$_2$-CO dimer are observed in the carbon dioxide $\nu_3$ asymmetric stretch region (~2350 cm-1) using a tunable infrared OPO laser source to probe a pulsed slit jet supersonic expansion. Both…
We present single-shot electron velocity-map images of nanoplasmas generated from doped helium nanodroplets and neon clusters by intense near-infrared and mid-infrared laser pulses. We report a large variety of signal types, most crucially…
We report on experimental results obtained from collisions of slow highly charged Ar9+ ions with a carbon monoxide dimer (CO)2 target. A COLTRIMS setup and a Coulomb explosion imaging approach are used to reconstruct the structure of the CO…
Propylene oxide is one of the simplest organic chiral molecules and has attracted considerable interest from the scientific community a few years ago, when it was discovered in the interstellar medium. Here, we report a preliminary study on…
This paper presents a new explanation of the width of gamma-ray spectra based on Rahm's electronegativity scale. This quantitatively proves, for the first time, that positrophilic electrons in the positron-electron annihilation process are…
Most theoretical investigations about titanium oxide clusters focus on (TiO$_2$)$_n$. However, many Ti$_n$O$_m$ clusters with $m\neq 2n$ are produced experimentally. In this work, first-principles calculations are performed to probe the…
When weakly-bound complexes are multiply excited by intense electromagnetic radiation, energy can be exchanged between neighboring atoms through a type of resonant interatomic Coulombic decay (ICD). This decay mechanism due to multiple…
As opposed to purely molecular systems where electron dynamics proceed only through intramolecular processes, weakly bound complexes such as He droplets offer an environment where local excitations can interact with neighbouring embedded…
Conformational analysis of the experimentally recorded IR absorption spectra of propanol in a gaseous state and in a low-temperature argon matrix at 20 K and at 35 K was carried out for different spectral ranges. It showed that the…
The origins of thermodynamics from the microscopic properties of matter have not been satisfactorily accounted for. This work presents a formulation that connects Lagrangian mechanics to thermodynamics. By using such a formulation and…
We use the path-integral Monte Carlo (PIMC) method and state-of-the-art two-body and three-body potentials to calculate the fourth virial coefficients $D(T)$ of $^4$He and $^3$He as functions of temperature from 2.6K to 2000K. We derive…
The Efimov effect can be induced by means of an external deformed one-body field that effectively reduces the allowed spatial dimensions to less than three. To understand this new mechanism, conceptually and practically, we employ a…