Search results for "Canon"
showing 10 items of 446 documents
State-specific multireference coupled-cluster theory
2012
The multireference problem is considered one of the great challenges in coupled-cluster (CC) theory. Most recent developments are based on state-specific approaches, which focus on a single state and avoid some of the numerical problems of more general approaches. We review various state-of-the-art methods, including Mukherjee's state-specific multireference coupled-cluster (Mk-MRCC) theory, multireference Brillouin–Wigner coupled-cluster (MR-BWCC) theory, the MRexpT method, and internally contracted multireference coupled-cluster (ic-MRCC) theory. Related methods such as extended single-reference schemes [e.g., the complete active space coupled-cluster (CASCC) theory] and canonical transfo…
L'America dei Concordati, Sistemi pattizi e di coordinazione nel subcontinente
2020
Le molteplici convenzioni che sono state firmate tra la Santa Sede e gli Stati dello scacchiere latinoamericano hanno spesso rappresentato l’evoluzione verso concordati fondati non più sul confessionismo statale, ma sul riconoscimento della libertas Ecclesiae, ossia della sua autonomia e indipendenza nell’adempimento della propria missione specifica, e sulla libertà cultuale riconosciuta a tutti i cittadini e alle loro organizzazioni confessionali. Si rivela di particolare interesse analizzare la specificità di questi accordi in termini di dinamiche diplomatiche, nella tipicità dei sistemi delle relazioni bilaterali, nonché delle politiche religiose dal XIX al XXI secolo.
Phase transitions in nonadditive hard disc systems: a Gibbs ensemble Monte Carlo Study
2007
we study the properties of a model fluid in two dimensions with Gibbs ensemble Monte Carlo (GEMC) techniques, in particular we analyze the entropy-driven phase separation in case of a nonadditive symmetric hard disc fluid. By a combination of GEMC with finite size scaling techniques we locate the critical line of nonadditivities as a function of the system density, which separates the mixing/demixing regions and compare with a simple analytical approximation.
Isotropic–isotropic phase separation in mixtures of rods and spheres: Some aspects of Monte Carlo simulation in the grand canonical ensemble
2008
Abstract In this article we consider mixtures of non-adsorbing polymers and rod-like colloids in the isotropic phase, which upon the addition of polymers show an effective attraction via depletion forces. Above a certain concentration, the depletant causes phase separation of the mixture. We performed Monte Carlo simulations to estimate the phase boundaries of isotropic–isotropic coexistence. To determine the phase boundaries we simulated in the grand canonical ensemble using successive umbrella sampling [J. Chem. Phys. 120 (2004) 10925]. The location of the critical point was estimated by a finite size scaling analysis. In order to equilibrate the system efficiently, we used a cluster move…
How Do Droplets Depend on the System Size? Droplet Condensation and Nucleation in Small Simulation Cells
2003
Using large scale grandcanonical Monte Carlo simulations in junction with a multicanonical reweighting scheme we investigate the liquid-vapor transition of a Lennard—Jones fluid. Particular attention is focused on the free energy of droplets and the transition between different system configurations as the system tunnels between the vapor and the liquid state as a function of system size. The results highlight the finite size dependence of droplet properties in the canonical ensemble and free energy barriers along the path from the vapor to the liquid in the grandcanonical ensemble.
How do droplets on a surface depend on the system size?
2002
Abstract We investigate the thermodynamics of inhomogeneous polymer melts in the framework of a coarse grained off-lattice model. Properties of the liquid–vapour interface and the packing of the melt in contact with an attractive wall are considered. We employ Monte Carlo simulations in the grand canonical ensemble to determine excess free energies, the wetting temperature and the pre-wetting line, as well as the pre-wetting critical point. Having determined the wetting properties and the phase diagram of the model polymer, we perform canonical Monte Carlo simulations of small droplets on a surface. This allows us to study the dependence of droplet size on the wetting properties. It is foun…
On conditional probabilities and their canonical extensions to Boolean algebras of compound conditionals
2023
In this paper we investigate canonical extensions of conditional probabilities to Boolean algebras of conditionals. Before entering into the probabilistic setting, we first prove that the lattice order relation of every Boolean algebra of conditionals can be characterized in terms of the well-known order relation given by Goodman and Nguyen. Then, as an interesting methodological tool, we show that canonical extensions behave well with respect to conditional subalgebras. As a consequence, we prove that a canonical extension and its original conditional probability agree on basic conditionals. Moreover, we verify that the probability of conjunctions and disjunctions of conditionals in a rece…
Annotationes siue reportationes Margaritarum omnium decretalium secundum alphabeti ordinem / [Sebastian Brant
1520
Nom de l'autor pres de v. de la port. - Sign.: a-g8 Alguna capll. orn. - Lletra gòt.