Buscar
Mostrando ítems 1-10 de 215
Configurational Entropy in k -mer Adsorption
(American Chemical Society, 2000-10-31)
The general basis for accurate calculations of k-mer lattice gases' configurational entropy is presented. The method relies on the definition of an artificial Hamiltonian from the system of interest. By Monte Carlo calculation ...
Configurational entropy of adsorbed linear species (k- mers)
(American Institute of Physics, 2001-06-11)
The configurational entropy of interacting linear molecules (k-mers) absorbed on a regular lattice is addressed through analytical as well as numerical methods. The general definitions for computational exact calculations ...
Configurational entropy of systems with non-additive lateral interactions
(Elsevier Science, 2012-12)
The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here ...
Configurational entropy in generalized lattice-gas models
(World Scientific, 2009-09)
In this review, we present our recent results concerning accurate calculations of configurational entropy in generalized lattice-gas models. The calculations are based on the use of the thermodynamic integration method. ...
Phase transitions in thick branes endorsed by entropic information
(2017-09-10)
The so-called configurational entropy (CE) framework has proved to be an efficient instrument to study nonlinear scalar field models featuring solutions with spatially-localised energy, since its proposal by Gleiser and ...
Refinements of the Weyl Pure Geometrical Thick Branes From Information-Entropic Measure
(2018-07-01)
This work aims to analyse the so-called configurational entropy in the Weyl pure geometrical thick brane model. The Weyl structure plays a prominent role in the brane thickness of this model. We find a set of parameters ...
Configurational entropy of adsorbed rigid rods: Theory and Monte Carlo simulations
(Elsevier Science, 2009-05)
The configurational entropy of straight rigid rods of length k (k-mers) adsorbed on square, honeycomb, and triangular lattices is studied by combining theory and Monte Carlo (MC) simulations in grand canonical and canonical ...
Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
(Springer, 2016-06)
The coefficients of full configuration interaction wave functions (FCI) for N-electron systems expanded in N-electron Slater determinants depend on the orthonormal one-particle basis chosen although the total energy remains ...