What Is the Atomic Equivalent of the Wood-Saxon Potential?

In summary, the Wood-Saxon potential is commonly used to describe the nucleus in the nuclear case, while the potentials of Morse and Lennard-Jones are used for molecules. For a single atom, a potential for the electrons can be described using quantum defect theory.
  • #1
BRN
108
10
Hi at all!
This is not a homework or simila, so I'm sorry if I post my question in a wrong section, but I do not know where to post it.

In the nuclear case, the Wood-Saxon potential is the main empirical potential used to describe the nucleus.
What would be the analogue in the atomic case?
The potentials of Morse and Lennard-Jons are related to the molecules, I would need one relative to the single atom.

Thanks!
 
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  • #2
I'm not sure what you are after. A single atom doesn't have a potential. Are you looking for a potential for the electrons in an atom?

If it is the latter you are after, the closest thing I can think of would be something like quantum defect theory.
 

1. What is an atomic empirical potential?

An atomic empirical potential is a mathematical model used to describe the interactions between atoms in a material. It takes into account the different forces, such as electrostatic and van der Waals forces, that act between atoms. This potential is used in computational simulations to predict the behavior of materials at the atomic scale.

2. How is an atomic empirical potential calculated?

An atomic empirical potential is calculated by fitting a mathematical function to experimental or theoretical data on the properties of the material, such as the lattice constant or elastic constants. The parameters of the potential are adjusted until the calculated properties match the known values. The resulting potential can then be used to simulate the material's behavior under different conditions.

3. What are the advantages of using an atomic empirical potential?

One advantage of using an atomic empirical potential is that it can accurately describe the interactions between atoms in a material, allowing for more realistic simulations. It is also computationally efficient, making it a useful tool for studying large systems or long time scales. Additionally, empirical potentials can be easily modified or adapted to study different materials or properties.

4. What are the limitations of atomic empirical potentials?

One limitation of atomic empirical potentials is that they are only applicable to materials that have been studied and for which experimental or theoretical data is available. They also may not accurately capture all of the complex interactions between atoms, leading to potential inaccuracies in simulations. Additionally, the parameters of the potential may need to be constantly updated and refined as new data becomes available.

5. How are atomic empirical potentials used in scientific research?

Atomic empirical potentials are used in a wide range of scientific research, including materials science, chemistry, and physics. They are particularly useful for studying the behavior of materials at the atomic scale, such as the mechanical properties of metals or the diffusion of atoms in a crystal. Empirical potentials can also be used to predict and design new materials with specific properties, or to understand the behavior of materials under extreme conditions, such as high temperatures or pressures.

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