Toward optimizing the sphericalized reference state in molecular perturbation theory: The Lennard‐Jones diatomic fluid

1986 ◽  
Vol 84 (11) ◽  
pp. 6383-6390 ◽  
Author(s):  
Bijoy Kumar ◽  
Saul Goldman ◽  
William R. Smith
Keyword(s):  
Perturbation Theory ◽  
Reference State ◽  
Lennard Jones

A general iterative time-independent perturbation theory

1985 ◽  
Vol 63 (9) ◽  
pp. 1157-1161 ◽  
Author(s):  
F. Castaño ◽  
L. Laín ◽  
M. N. Sanchez ◽  
A. Torre
Keyword(s):  
Perturbation Theory ◽  
Power Series ◽  
Iterative Method ◽  
Perturbation Methods ◽  
Lennard Jones ◽  
Insight Into ◽  
Considerable Insight

An iterative method for time-independent perturbation theory is presented. Lennard-Jones–Brillouin–Wigner (LBW) and Rayleigh–Schrödinger (RS) power series are shown to be particular cases of the iteration and the combined expansion–iteration. Improvements in convergence of the power series are suggested and analyzed.The iterative method gives considerable insight into the nature and relative convergence of the currently used time-independent perturbation methods.

Thermodynamic properties of the Lennard-Jones FCC solid: perturbation theory parameterisation and Monte Carlo simulation

2019 ◽  
Vol 118 (1) ◽  
pp. e1582813 ◽  
Author(s):  
Mostafa Abolala ◽  
Kiana Peyvandi ◽  
Farshad Varaminian ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Perturbation Theory ◽  
Thermodynamic Properties ◽  
Lennard Jones
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