原子与分子团簇
We briefly review recent applications of the Regge pole analysis to low-energy E less than/equal to 10.0 eV electron elastic collisions with large multi-electron atoms and fullerene molecules. We then conclude with a demonstration of the…
The article in \cite{HolmlidAIPA2016} has recently come to our attention. It makes a number of extraordinary claims that each contradict well established facts in several fields, ranging from atomic and molecular physics to…
Van der Waals interactions are interactions between dipoles. Similarly, quadrupole-quadrupole interactions are interactions between quadrupoles. In this article, we focus on the interactions between two dipoles or two quadrupoles.…
We present a numerical tool for solving the non-relativistic Kohn-Sham problem for spherically-symmetric atoms. It treats the Schr\"{o}dinger equation as an integral equation relying heavily on convolutions. The solver supports different…
Widespread interest in weakly bound molecular clusters of medium size (5-50 molecules) is motivated by their complicated energy landscapes, which lead to hundreds or thousands of distinct isomers. But most studies are theoretical in nature,…
Rotational dynamics of D$_2$ molecules inside helium nanodroplets is induced by a moderately intense femtosecond (fs) pump pulse and measured as a function of time by recording the yield of HeD$^+$ ions, created through strong-field…
Single-molecule motions in the nanofluidic domain are extremely difficult to characterise because of various complex physical and physicochemical interactions. We present a method for quasi-one-dimensional sub-diffraction-limited…
With the use of proton-NMR and powder XRD (XRPD) studies, the suitability of specific Au FEBID precursors has been investigated to low electron energy, structure, excited states and resonances, structural crystal modifications, flexibility,…
In this work, the aggregation behaviour of RhB has been studied with the change in the concentration of the RhB dye in water, ethanol and propanol using absorption and laser induced fluorescence spectroscopy. The dimer and monomer…
Femtosecond extreme ultraviolet wave packet interferometry (XUV-WPI) was applied to study resonant inter-atomic Coulombic decay (ICD) in the HeNe dimer. The high demands on phase stability and sensitivity for vibronic XUV-WPI of…
In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…
Abundance spectra of (CO$_2$)$_N$ clusters (up to $N \approx$ 500) acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. Analysis reveals that cluster stability functions…
Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…
Structural calculations and high-resolution infrared spectra are reported for trimers and tetramers containing CO$_2$ together with CO and/or N$_2$. Among the 9 clusters studied here, only (CO$_2$)$_2$-CO was previously observed by…
Superhalogens have been a subject of continuous attraction for the last four decades due to their unusual structures and interesting applications. In the quest for new superhalogens based on boronyl (BO) ligands, we investigate…
We report the first observation of intermolecular Coulombic decay (ICD) in liquid water following inner-valence ionization. By combining a monochromatized table-top high-harmonic source with a liquid micro-jet, we recorded electron-electron…
We examine the structure of compact metal nanoparticles (NPs) forming polyhedral sections of face centered (fcc) and body centered (bcc) cubic lattices, which are confined by facets characterized by highly dense {100}, {110}, and {111}…
Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after…
Rubidium dimers residing on the surface of He nanodroplets are doubly ionized by an intense fs laser pulse leading to fragmentation into a pair of $\mathrm{Rb^+}$ ions. We show that the kinetic energy of the $\mathrm{Rb^+}$ fragment ions…
Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to…