Related papers: Comparative study of Rare Gas-H$_2$ triatomic comp…
Low lying states of $^{198}$Hg have been investigated via $^{197}$Au($^{7}$Li, $ \alpha $2n$ \gamma $)$ ^{198} $Hg reaction at E$ _{\text{beam}} $ = 33 MeV and 38 MeV and the members of $ \gamma $-vibrational band have been identified.…
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case of dense hydrogen up to 500 K for pressures ranging from 180…
This is the second paper of a series exploring the multi-component (stars, warm and cold gas and radio jets) properties of a sample of eleven nearby low excitation radio galaxies (LERGs), with the aim of better understanding the AGN…
The structure of the interstellar medium in the central kpc region of a galaxy with a weak bar-like potential is investigated taking into account realistic cooling and heating processes and the self-gravity of the gas. Using high resolution…
The variational procedure to construct compact and accurate wave functions for three-electron atoms and ions is developed. The procedure is based on the use of six-dimensional gaussoids written in the relative four-body coordinates $r_{12},…
We use the one-dimensional steady version of the equations derived in paper I to compute the structure of shock waves. The agreement with experiment is good, especially when we retain the experimental value of the Prandtl number adopted in…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
Using density functional molecular dynamics simulations, we analyze the broken chemical order in a GeS$_2$ glass and its impact on the dynamical properties of the glass through the in-depth study of the vibrational eigenvectors. We find…
We present a technique that uses noisy broadband pulse bursts generated by modulational instability to probe nonlinear processes, including infrared-inactive Raman transitions, in molecular gases. These processes imprint correlations…
A microscopically resolved picture of energy flow in atom-diatom collisions is essential for understanding the non-equilibrium chemistry in rarefied and hypersonic gas flow. Here, a comprehensive ensemble of quasi-classical trajectories on…
Water is an ubiquitous liquid that has several exotic and anomalous properties. Despite its apparent simple chemical formula, its capability of forming a dynamic network of hydrogen bonds leads to a rich variety of physics. Here we study…
The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…
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…
High-order harmonic generation (HHG) is a powerful tool for probing electronic structure and ultrafast dynamics in matter. Traditionally studied in atomic and molecular gases, HHG has recently been extended to condensed matter, enabling…
Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In…
We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally…
The emission of $\gamma$-rays in jets emanating from the vicinity of collapsed stellar remnants, in binary systems known as microquasars, is investigated using a three dimensional relativistic hydrocode (PLUTO), in combination with two…
In this work, we show that van der Waals molecules X-RG (where RG is the rare gas atom) may be created through direct three-body recombination collisions, i.e., X + RG + RG $\rightarrow$ X-RG + RG. In particular, the three-body…
This project uses the R\"uchardt experiment to determine the ratio of specific heats and hence the number of degrees of freedom $f$ of different gases by measuring the frequency of damped simple harmonic motion where the gas provides the…
The dynamical properties of a tracer or impurity particle immersed in a host gas of inelastic and rough hard spheres in the homogeneous cooling state is studied. Specifically, the breakdown of energy equipartition as characterized by the…