Related papers: OCS in small para-hydrogen clusters: energetics an…
The generalization of Kasteleyn and Fortuin clusters formalism is introduced in XY (or more generally O(n)) models. Clusters geometrical structure may be linked to spin physical properties as correlation functions. To investigate…
The magnetic properties of Li_{1-x}Ni_{1+x}O_2 compounds with x ranging between 0.02 and 0.2 are investigated. Magnetization and ac susceptibility measured at temperatures between 2 K and 300 K reveal a high sensitivity to x, the excess…
A precise understanding of the equation of state (EOS) of dense and hot matter is key to modeling relativistic astrophysical environments, including core-collapse supernovae (CCSNe), protoneutron star (PNSs) evolution, and compact binary…
The formation, growth, structure and cluster size distribution (CSD) properties in a two-dimensional system of particles interacting with Lennard-Jones (LJ) potential under controlled cooling condition have been studied using Monte-Carlo…
We have analyzed HCN(1-0) and CS(2-1) line profiles obtained with high signal-to-noise ratios toward distinct positions in three selected objects in order to search for small-scale structure in molecular cloud cores associated with regions…
A microscopic $n\alpha$ cluster model was applied to $^{8}$Be, $^{12}$C, and $^{16}$O systems to investigate cluster motion in the ground state and radial excitation. In the microscopic calculation of $^{12}$C and $^{16}$O using the…
Geometric configuration and energy of a hydrogen molecule centered between two point-shaped tips of equal charge are calculated with the variational quantum Monte-Carlo (QMC) method without the restriction of the Born-Oppenheimer (BO)…
This article comprises three sections. Section 2 starts with a review of ab initio no-core shell model calculations by Monte Carlo Shell Model. Alpha clustering arises for 8,10,12Be and 12C with Daejeon16 and JISP16 interactions, even in…
Using a fast and accurate neural network potential we are able to systematically explore the energy landscape of large unit cells of bulk magnesium oxide with the minima hopping method. The potential is trained with a focus on the…
The dynamic orientational order-disorder transition of clusters consisting of octahedral molecules is formulated in terms of symmetry-adapted rotator functions. The transition from a higher-temperature body-centered-cubic, orientationally…
The present contribution explores phase transitions that occur in the ground state (GS) of spin-1 Bose-Einstein condensates (BECs) with spin-orbit coupling (SOC) under the action of gradient magnetic fields. By solving the corresponding…
We study the distribution of hydrogen and various hydride configurations in realistic models of a-Si:H for two different concentration generated via experimentally constrained molecular relaxation approach (ECMR) [1]. The microstructure…
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to compute the energy and other properties. Although it is of…
The crystal structure of high-pressure solid hydrogen remains a fundamental open problem. Although the research frontier has mostly shifted toward ultra-high pressure phases above 400 GPa, we show that even the broken symmetry phase…
In a previous paper we introduced a new method for simulating collisional gravitational $N$-body systems with linear time scaling on $N$, based on the Multi-Particle Collision (MPC) approach. This allows us to simulate globular clusters…
Depending on the pH value and salt concentration of Al2O3 suspensions different microstructures can form. Especially the clustered one is of major interest for industrial purposes as found in the production of ceramics. In this paper we…
Isothermal simulational data for the 3D Edwards-Anderson spin glass are collected at several temperatures below $T_{\rm c}$ and, in analogy with a recent model of dense colloidal suspensions,interpreted in terms of clusters of contiguous…
We present an implementation of equation-of-motion oscillator strengths for the multilevel CCSD (MLCCSD) model where CCS is used as the lower level method (CCS/CCSD). In this model, the double excitations of the cluster operator are…
Structural transformations in molecules and solids have generally been studied in isolation, while intermediate systems have eluded characterization. We show that a pair of CdS cluster isomers provides an advantageous experimental platform…
Using microemulsion methods, CoO-Pt core-shell nanoparticles (NPs), with diameters of nominally 4 nm, were synthesized and characterized by high-resolution transmission electron microscopy (HRTEM) and a suite of x-ray spectroscopies,…