Erratum: Vibrational quantum correction for the Lennard‐Jones fluid: A formalism of effective intermolecular potentials depending on mass and temperature [J. Chem. Phys. 92, 3748 (1990)]

1990 ◽  
Vol 93 (5) ◽  
pp. 3728-3728 ◽  
Author(s):  
Byoung Jip Yoon ◽  
Mu Shik Jhon ◽  
Harold A. Scheraga
Keyword(s):  
Quantum Correction ◽  
Chem Phys ◽  
Intermolecular Potentials ◽  
Lennard Jones

Intermolecular forces and properties of fluid. I. The automatic calculation of higher virial coefficients and some values of the fourth coefficient for the Lennard-Jones potential

1960 ◽  
Vol 254 (1279) ◽  
pp. 487-498 ◽  
Keyword(s):  
Virial Coefficient ◽  
Mathematical Problem ◽  
Virial Coefficients ◽  
Intermolecular Forces ◽  
Lennard Jones Potential ◽  
Intermolecular Potentials ◽  
Jones Potential ◽  
Lennard Jones ◽  
Experimental Values ◽  
First Time

The prediction of the virial coefficients for particular intermolecular potentials is generally regarded as a difficult mathematical problem. Methods have only been available for the second and third coefficient and in fact only few calculations have been made for the latter. Here a new method of successive approximation is introduced which has enabled the fourth virial coefficient to be evaluated for the first time for the Lennard-Jones potential. It is particularly suitable for automatic computation and the values reported here have been obtained by the use of the EDSAC I. The method is applicable to other potentials and some values for these will be reported subsequently. The values obtained cannot yet be compared with any experimental results since these have not been measured, but they can be used in the meantime to obtain more accurate experimental values of the lower coefficients.

Knudsen pumps modeling with Lennard-Jones and ab initio intermolecular potentials

Vacuum ◽  
2014 ◽  
Vol 109 ◽  
pp. 360-367 ◽  
Author(s):  
O.I. Dodulad ◽  
Yu.Yu. Kloss ◽  
D.O. Savichkin ◽  
F.G. Tcheremissine
Keyword(s):  
Ab Initio ◽  
Intermolecular Potentials ◽  
Lennard Jones

Publisher's Note: “Pressure-energy correlations in liquids. V. Isomorphs in generalized Lennard-Jones systems” [J. Chem. Phys. 134, 164505 (2011)]

2011 ◽  
Vol 135 (13) ◽  
pp. 139901
Author(s):  
Thomas B. Schrøder ◽  
Nicoletta Gnan ◽  
Ulf R. Pedersen ◽  
Nicholas P. Bailey ◽  
Jeppe C. Dyre
Keyword(s):  
Chem Phys ◽  
Lennard Jones
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