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Tanja
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Does anybody know where I can find the value for the Lenard Jones potential constants (sometimes denotes as A and B, sometimes as Sigma and Gamma) for specific molecules and/or solids?
A Lenard Jones potential is a mathematical model used to describe the interactions between two neutral particles, such as atoms or molecules, at close distances. It takes into account both attractive and repulsive forces between the particles.
The constants in a Lenard Jones potential are the equilibrium distance, σ, and the well depth, ε. These values are specific to the particles and are used to calculate the potential energy between them.
The constants in a Lenard Jones potential are typically determined through experimental measurements or theoretical calculations. They can also be adjusted to fit experimental data, making the potential more accurate for a specific system.
The well depth, ε, represents the minimum potential energy between the particles, or the depth of the potential energy well. It is a measure of the strength of the interactions between the particles and can affect properties such as melting and boiling points.
Changing the equilibrium distance, σ, affects the overall shape of the potential. A smaller σ leads to a steeper potential, while a larger σ leads to a flatter potential. This can impact the strength of the attractive and repulsive forces between the particles and their interactions.