Search results for "Potential models"
showing 3 items of 3 documents
Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks
2018
Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…
LHCb pentaquarks in constituent quark models
2016
The recently discovered $P_c(4380)^+$ and $P_c(4450)^+$ states at LHCb have masses close to the $\bar D\Sigma_c^*$ and $\bar D^*\Sigma_c$ thresholds, respectively, which suggest that they may have significant meson-baryon molecular components. We analyze these states in the framework of a constituent quark model which has been applied to a wide range of hadronic observables, being the model parameters, therefore, completely constrained. The $P_c(4380)^+$ and $P_c(4450)^+$ are studied as molecular states composed by charmed baryons and open charm mesons. Several bound states with the proper binding energy are found in the $\bar D\Sigma_c^*$ and $\bar D^*\Sigma_c$ channels. We discuss the pos…
A Strategy for the Prediction of the Response of Hysteretic Systems: A Base for Capacity Assessment of Buildings under Seismic Load
2014
A statistical non linearization method is used to approximate systems modeled by the Bouc differential equa- tion and excited by a Gaussian white noise external load. To this aim restricted potential models (RPM) are used, which are suitable for an extended number of nonlinear problems as have been proved several times. Since the solution of RPM is known by the probabilistic point of view, all statistical characteristics can be derived at once with advantages by the computational point of view. Hence, this paper discusses the possibility to determine sets of parameters characterizing po- tential models that are valid for describing a hysteretic behavior. In this way the characterization of …