Concepedia

Modification of the overlap potential to mimic a linear site–site potential

J. G. Gay, B. J. Berne

The Journal of Chemical Physics · 1981 · 1.3K citations · 13 references

DOI

Concepts

Abstract

A modification of the overlap potential of Berne and Pechukas is proposed. The overlap strength and range parameters are used in a new functional form resulting in a single-site potential which closely resembles a linear site–site potential.

References

13

Virial Coefficients and Models of Molecules in Gases

Taro Kihara · Reviews of Modern Physics · 1953 · 612 citations

, , +12

Gaussian Model Potentials for Molecular Interactions

B. J. Berne, Philip Pechukas · The Journal of Chemical Physics · 1972 · 549 citations

, , +11

Thermodynamic and structural properties of liquids modelled by ‘2-Lennard-Jones centres’ pair potentials

K. Singer, A. Taylor, J.V.L. Singer · Molecular Physics · 1977 · 360 citations

, , +17

Liquids of Linear Molecules: Computer Simulations and Theory

W B Streen, Keith E. Gubbins · Annual Review of Physical Chemistry · 1977 · 101 citations

, , +14

The second virial coefficient of a gas of non-spherical molecules

Jessica Corner · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1948 · 92 citations

, , +14