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LennardJones Fluid Reference Calculations

LRC, r_{c}*=3.0  LRC, r_{c}*=4.0 
LFS, r_{c}*=3.0 

Configuration  U_{pair}*  W_{pair}*  U_{LRC}*  U_{pair}*  W_{pair}*  U_{LRC}*  U_{pair}*  W_{pair}*  U_{LRC}* 
1  4.3515E+03  5.6867E+02  1.9849E+02  4.4675E+03  1.2639E+03  8.3769E+01  3.8709E+03  3.1754E+02  0.0000E0 
2  6.9000E+02  5.6846E+02  2.4230E+01  7.0460E+02  6.5599E+02  1.0226E+01  6.2012E+02  4.4533E+02  0.0000E0 
3  1.1467E+03  1.1649E+03  4.9622E+01  1.1754E+03  1.3371E+03  2.0942E+01  1.0210E+03  9.3578E+02  0.0000E0 
4  1.6790E+01  4.6249E+01  5.4517E01  1.7060E+01  4.7869E+01  2.3008E01  1.5001E+01  4.3096E+01  0.0000E0 
For the reference calculations given here, the following definitions are relevant:
A. The traditional LennardJones Potential is given by:
B. When the "LongRange Correction" (LRC) is applied to the tail of the LennardJones Potential, the actual potential in a molecular simulation is given by:
C. When the "LinearForce Shift" is applied to the tail of the LennardJones Potential, the actual potential in a molecular simulation is given by:
D. The pair internal energy is given by the following equation, where V(r) is the simulated pair potential:
E. The LongRange correction to the LennardJones potential, per particle, is given by [1,2]:
F. The instantaneous pair virial is given by:
References
1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1989).
2. D. Frenkel and B. Smit, Understanding Molecular Simulation, 2nd ed. (Academic, San Diego, 2002), pp.3738.