﻿ Calculation of Lennard-Jones (6-12) potential

# Calculation of Lennard-Jones (6-12) potential

 1 Parameters of the Lennard-Jones Potential：σ *10^m - 2 Parameters of the Lennard-Jones Potential：ε/kB K. or ε(kJ/mol) - 3 Separation：r *10^m - 4 Graph x-axis：r,y-axis：Eb(r) Plot Input Data： YesNo 5 Number of gridlines of Graph x-axis, y-axis -
:Export Graph Image.

## Keyword

Lennard-Jones (6-12) potential,Parameter,Separation,Boltzmann constant

## Reference

[1]：Graham Woan著・堤正義訳：『ケンブリッジ物理公式ハンドブック』,共立出版,p.129,2007.
[2]：The Center for Polymer Studies：The Lennard--Jones potential
[3]：Website of New Jersey Institute of Technology：8. Van der Waals Potential Energy
[4]：A. Nasehzadeh, M. Mohseni, K. Azizi：『The effect of temperature on the Lennard–Jones (6–12) pair potential function』,Journal of Molecular Structure: THEOCHEM, Volumes 589-590, 16 August 2002, Pages 329-335
[5]：N. M. Putintsev and D. N. Putintsev：『Method for Determining the Parameters of the Lennard-Jones Potential』,Doklady Physical Chemistry, 2004, Volume 399, Numbers 1-3, Pages 278-282

## Remarks

・Lennard-Jones (6-12) potential：Eb
・Parameter of the Lennard-Jones Potential：σ.『σ is the minimal distance between the interacting particles at which Eb= 0.』(Reference[5])
・Parameter of the Lennard-Jones Potential：ε.『ε is a parameter characterizing the depth of the potential well』(Reference[5])
・Separation：r
・Boltzmann constant：kB(=1.3806504*10^-23(J/K))