Related papers: OCS in small para-hydrogen clusters: energetics an…
Density functional and quantum Monte Carlo calculations challenge the existence of a unique ground state structure for certain Si clusters. For Si clusters with more than a dozen atoms the lowest ten isomers are close in energy and for some…
State-to-state differential cross sections (DCSs) for rotationally inelastic scattering of H2O by H2 have been measured at 71.2 meV (574 cm-1) and 44.8 meV (361 cm-1) collision energy using crossed molecular beams combined with velocity map…
Collision cross sections and rate constants between two ground- state oxygen molecules are investigated theoretically at translational energies below $\sim 1$K and in zero magnetic field. We present calculations for elastic and spin-…
Alignment of OCS, CS$_2$ and I$_2$ molecules embedded in helium nanodroplets is measured as a function of time following rotational excitation by a non-resonant, comparatively weak ps laser pulse. The distinct peaks in the power spectra,…
We present a lattice Monte Carlo simulation for a multiblock copolymer chain of length N=240 and microarchitecture $(10-10)_{12}$.The simulation was performed using the Monte Carlo method with the Metropolis algorithm. We measured average…
(Abridged) We aim to enlarge the number of known hot corinos and carry out a first comparative study with hot cores. The ultimate goal is to understand whether complex organic molecules form in the gas phase or on grain surfaces, and what…
We studied the structural and the electronic properties of small Mo clusters (n = 2 ~ 8) via projector augmented wave pseudopotential calculations using plane wave basis functions. Our results show that the 4s- and 4p-semicore states play…
We study cluster formation in strongly deformed states for $^{28}$Si and $^{32}$S using a macroscopic-microscopic model. The study is based on calculated total-energy surfaces, which are the sums of deformation-dependent…
According to microscopic calculations with antisymmetrized molecular dynamics, we studied cluster features in stable and unstable nuclei. A variety of structure was found in stable and unstable nuclei in the $p$-shell and $sd$-shell…
We generate the equation of state (EOS) of solid parahydrogen using a path-integral Monte Carlo (PIMC) simulation based on a highly accurate first-principles adiabatic hindered rotor (AHR) potential energy curve for the parahydrogen dimer.…
We investigated structures of low-lying $0s$-orbit $\Lambda$ states in $p$-shell $\Lambda$ hypernuclei ($^A_\Lambda Z$) by applying microscopic cluster models for nuclear structure and a single-channel folding potential model for a…
This work presents a series of highly-accurate excited-state properties obtained using high-order coupled-cluster (CC) calculations performed with a series of diffuse containing basis sets, as well as extensive comparisons with experimental…
We examine the structure of Direct Simulation Monte Carlo (DSMC)-resolved internal compression layers in rarefied micro-nozzle flows and show that their apparent parametric complexity is largely a registration and finite-thickness scaling…
Cold, neutral hydroxyl radicals are Stark decelerated and confined within a magnetic trap consisting of two permanent ring magnets. The OH molecules are trapped in the ro-vibrational ground state at a density of $\sim10^{6}$ cm$^{-3}$ and…
The massive clump G10.6-0.4 is an OB cluster forming region, in which multiple UC HII regions have been identified. In the present study, we report arcsecond resolution observations of the CS (1-0) transition, the NH$_{3}$ (3,3) main…
The Hamiltonian of a N-boson system confined on a ring with zero spin and repulsive interaction is diagonalized. The excitation of a pair of p-wave-particles rotating reversely appears to be a basic mode. The fluctuation of many of these…
Encapsulated atomic hydrogen in cube-shaped octa-silsesquioxane (POSS) cages of the Si$_8$O$_{12}$R$_8$ type (where R is an organic group) is the simplest alternative stable system to paramagnetic endohedral fullerenes (N@C$_{60}$ or…
We are addressing the sites of isolated low mass star formation in the solar neighbourhood, i.e. small cloud cores within one kiloparsec. We aim at determining the physical parameters of the cores, i.e., temperature, volume density, column…
We study molecular para-hydrogen (p-${\rm H_{2}}$) and ortho-deuterium (o-${\rm D_{2}}$) in two dimensions and in the limit of zero temperature by means of the diffusion Monte Carlo method. We report energetic and structural properties of…
We present results for ground state structures of small Si$_{n}$H (2 \leq \emph{n} \leq 10) clusters using the Car-Parrinello molecular dynamics. In particular, we focus on how the addition of a hydrogen atom affects the ground state…