scholarly journals A Simplified Theory of Melting for Lennard-Jones and Ionic Crystals Based on the Self-Consistent Einstein Model

1983 ◽  
Vol 69 (4) ◽  
pp. 1074-1084 ◽  
Author(s):  
T. Ishii ◽  
S. Naya ◽  
S. Tanaka
Keyword(s):  
The Self ◽  
Ionic Crystals ◽  
Lennard Jones ◽  
Self Consistent ◽  
Einstein Model ◽  
Theory Of Melting

Thermodynamically self-consistent theories of simple liquids. II. A perturbation scheme for systems with purely repulsive forces

1980 ◽  
Vol 58 (5) ◽  
pp. 713-717 ◽  
Author(s):  
Donald S. Hall ◽  
W. R. Conkie
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Distribution Function ◽  
The Self ◽  
Perturbation Scheme ◽  
Simple Liquids ◽  
Lennard Jones ◽  
Self Consistent ◽  
Repulsive Forces ◽  
Simple Systems

A parametrized perturbation scheme is derived for simple systems with purely repulsive forces. The parameter is chosen so that the pressure in the system found by differentiating the free energy is consistent with that found by integrating over the radial distribution function. Results of calculations for the equation of state of an inverse-12 fluid are presented and found to be in excellent agreement with Monte Carlo simulations. The use of the results of the self-consistent scheme as a reference system for the Lennard-Jones fluid is discussed.

The self-consistent average phonon equation of state for ionic crystals

1985 ◽  
Vol 46 (1) ◽  
pp. 83-96 ◽  
Author(s):  
K. Shukla ◽  
A. Paskin ◽  
D.O. Welch ◽  
G.J. Dienes
Keyword(s):  
Equation Of State ◽  
The Self ◽  
Ionic Crystals ◽  
Self Consistent

scholarly journals On the simple determination of the self-consistent atomic charges and Madelung potentials in ionic crystals

1997 ◽  
Vol 274 (4) ◽  
pp. 341-344 ◽  
Author(s):  
L.F. Chibotaru ◽  
N.N. Gorinchoi ◽  
A.O. Solonenko ◽  
V.A. Shlyapnikov ◽  
F. Cimpoesu
Keyword(s):  
The Self ◽  
Atomic Charges ◽  
Ionic Crystals ◽  
Self Consistent

A Note on the Self Consistent Approximation Method for the Evaluation of Radial Distribution Functions of Simple Fluids

1976 ◽  
Vol 31 (1) ◽  
pp. 31-33 ◽  
Author(s):  
R. V. Gopala Rao ◽  
T. Nammalvar
Keyword(s):  
Radial Distribution ◽  
Approximation Method ◽  
Distribution Functions ◽  
The Self ◽  
Radial Distribution Functions ◽  
Simple Fluids ◽  
Consistent Approximation ◽  
Lennard Jones ◽  
Self Consistent

The self consistent approximation of Rowlinson, Carley and Lado has been applied to calculate the radial distribution functions of simple fluids (Neon, Krypton and Xenon) interacting with a Lennard-Jones 6:12 potential. It has been found that in general the self consistent values are nearer to the exact values than other values.

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