Related papers: OCS in small para-hydrogen clusters: energetics an…
The stellar cluster environment is expected to play a central role in the evolution of circumstellar disks. We use thermochemical modeling to constrain the dust and gas masses, disk sizes, UV and X-ray radiation fields, viewing geometries,…
{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…
We use Enzo, a hybrid Eulerian AMR/N-body code including non-gravitational heating and cooling, to explore the morphology of the X-ray gas in clusters of galaxies and its evolution in current generation cosmological simulations. We employ…
Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation. In the NEO approach, specified nuclei, typically protons,…
The structure of low-lying excitation states of even-even $N=40$ isotones is studied using a five-dimensional collective Hamiltonian with the collective parameters determined from the relativistic mean-field plus BCS method with the PC-PK1…
Nuclear clustering describes the appearance of structures resembling smaller nuclei such as alpha particles (4He nuclei) within the interior of a larger nucleus. While clustering is important for several well-known examples, much remains to…
We present results obtained from a set of cosmological hydrodynamic simulations of galaxy clusters, aimed at comparing predictions with observational data on the diversity between cool-core (CC) and non-cool-core (NCC) clusters. Our…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
A number of globular clusters appear to have undergone core collapse, in the sense that their predicted collapse time is much shorter than their current age. Simulations using gas models and Fokker-Planck approximation have shown that the…
Despite the prominence of Onsager's point-vortex model as a statistical description of 2D classical turbulence, a first-principles development of the model for a realistic superfluid has remained an open problem. Here we develop a mapping…
We have studied the structure and kinematics of the dense molecular gas in the Orion Molecular Cloud 1 (OMC1) region with the N2H+ 3-2 line. The 6'x9' (~0.7x1.1 pc) region surrounding the Orion KL core has been mapped with the Submillimeter…
The structures of the ground and excited states of 12Be were studied with antisymmetrized molecular dynamics. The ground state was found to be a state with a developed 2-alpha core with two neutrons occupying the intruder orbits. The energy…
Orion KL is one of the prime templates of astrochemical and prebiotic chemical studies. We wish to explore more organic molecules with increasing complexity in this region. In particular, we have searched for one of the most complex organic…
We present new results for ground-state candidate energies of Mg-rich olivine (MRO) clusters and use the binding energies of these clusters to determine their nucleation rates in stellar outflows, with particular interest in the en-…
Recent first-principle calculations unveiled a distinctive dynamic behavior in water molecule rotation during the melting process of highly confined water, indicating a notable time-scale separation in diffusion. In this short paper, we…
The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO32- with n =…
The term superalkali refers to the clusters with lower ionization energy than alkali atoms. Typical superalkali cations include a central electronegative core with excess metal ligands, OLi3+, for instance, which mimic the properties of…
Binding energies and density profiles of two-dimensional systems of liquid He-4 with different geometries are studied by means of a zero-range density functional adjusted to reproduce the line tension obtained in a previous diffusion Monte…
We use molecular dynamics simulations to probe the rotational dynamics of the SPC/E model of water for a range of temperatures down to 200 K, 13 K above to the mode coupling temperature. We find that rotational dynamics is spatially…
We study a LiCs strongly-interacting molecular gas loaded into an one-dimensional optical lattice at quarter filling. The molecules are in the lowest electronic and vibrational state, $X^{1}\Sigma$ ($\nu=0$). Due to the large intermolecular…