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The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the…
We use quantum Monte Carlo methods in the framework of the interacting nuclear shell model to calculate the statistical properties of nuclei at finite temperature and/or excitation energies. With this approach we can carry out realistic…
By using freeze-out properties of multifragmenting hot nuclei produced in quasifusion central $^{129}$Xe+$^{nat}$Sn collisions at different beam energies (32, 39, 45 and 50 AMeV) which were estimated by means of a simulation based on…
We model an isothermal aggregation process of particles/atoms interacting according to the Lennard-Jones pair potential by mapping the energy landscapes of each cluster size $N$ onto stochastic networks, computing transition probabilities…
Level densities for 93-98Mo have been extracted using the (3He,alpha gamma) and (3He,3He' gamma) reactions. From the level densities thermodynamical quantities such as temperature and heat capacity can be deduced. Data have been analyzed by…
The thermodynamical property of a small cluster including $M$ Hubbard dimers, each of which is described by the two-site Hubbard model, has been discussed within the nonextensive statistics (NES). We have calculated the temperature…
By using freeze-out properties of multifragmenting hot nuclei produced in quasifusion central $^{129}$Xe+$^{nat}$Sn collisions at different beam energies (32, 39, 45 and 50 AMeV) which were estimated by means of a simulation based on…
We proposed that the use of an approximate "jump condition" at the solar transition region permits fast and accurate numerical solutions of the one dimensional hydrodynamic equations when the corona undergoes impulsive heating. In…
We propose a Monte Carlo method which performs a random walk in energy space using cluster-like collective updates. By imposing that bond probabilities depend continuously on the microcanonical temperature, we obtain dynamic exponents close…
The probabilities of $xn$-, $pxn$-, and $\alpha xn$-evaporation channels in excited superheavy nuclei were evaluated using the Monte Carlo method. The calculations utilized microscopically determined nuclear level densities and were…
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dynamics, which allows for a compact wavefunction…
We report microcanonical Monte Carlo simulations of melting and superheating of a generic, Lennard-Jones system starting from the crystalline phase. The isochoric curve, the melting temperature $T_m$ and the critical superheating…
Single impurity effect on the melting process of magic number Lennard-Jones, rare gas, clusters of up to 309 atoms is studied on the basis of Parallel Tempering Monte Carlo simulations in the canonical ensemble. A decrease on the melting…
We report an accurate Monte Carlo calculation of the phase diagram and clustering properties of the restricted primitive model with non-additive hard-sphere diameters. At high density the positively non-additive fluid shows more clustering…
Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantum corrections within standard classical simulations. In this…
Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a…
The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The glue potential exhibits a smooth relatively featureless heat…
We present a force-biased Monte Carlo (FMC) method for structural modeling of transition metal clusters of Fe, Ni, and Cu with 5 to 60 atoms. By employing the Finnis-Sinclair potential for Fe and the Sutton-Chen potential for Ni and Cu, the…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…