Why should the electron be prevented from "hitting" the nucleus?feynman1 said:Thanks. How is shielded potential of the nucleus expressed?
A valence one can at most stay on the outermost layer let alone hitting the centre.nasu said:Why should the electron be prevented from "hitting" the nucleus?
Here are some referencesfeynman1 said:Thanks. How is shielded potential of the nucleus expressed?
Have you ever seen an image of probability distribution for s-type orbitals? Electrons in atoms are described by quantum mechanics. They don't sit on layers like books in the library.feynman1 said:A valence one can at most stay on the outermost layer let alone hitting the centre.
Yes. Any emperical potential (well) able to describe such s type 'bonding' between an electron and ion?nasu said:Have you ever seen an image of probability distribution for s-type orbitals? Electrons in atoms are described by quantum mechanics. They don't sit on layers like books in the library.
Thanks but I didn't find any help from there talking about any potential functionmfb said:
These are obtained by solving Schroedinger equation with Coulomb potential. Is done (for hydrogen atom) in introductory QM courses.feynman1 said:Yes. Any emperical potential (well) able to describe such s type 'bonding' between an electron and ion?
OK, I actually was looking for a potential that works in classical mechanics, namely some potential+'F=ma'nasu said:These are obtained by solving Schroedinger equation with Coulomb potential. Is done (for hydrogen atom) in introductory QM courses.
God luck with that...feynman1 said:You do understand that it wasa atomic OK, I actually was looking for a potential that works in classical mechanics, namely some potential+'F=ma'
Yes I knew thanks. Wasn't looking for any precise QM theory.hutchphd said:God luck with that...
You do understand that it was problems with atomic physics that precipitated the invention of Quantum Mechanics? The best you can do is some sort of mean firld theory (which is Hartree-Fock as I recall)
Thanks, though indeed more than I want to know.hutchphd said:More than you want to know !:
https://en.wikipedia.org/wiki/Density_functional_theory
A classical/empirical potential for electron-ion interactions is a mathematical model that describes the interactions between electrons and ions in a material. It is based on classical mechanics and empirical data, and is used to calculate the forces between particles in a material.
A classical/empirical potential is created by fitting a mathematical function to experimental data on the energies and positions of particles in a material. This function is then used to calculate the forces between particles in the material.
One advantage is that it is computationally efficient, making it suitable for large-scale simulations. It also allows for the study of complex materials and systems that cannot be easily described using quantum mechanics.
One limitation is that it does not take into account quantum effects, such as electron tunneling and wave-like behavior. It also relies on empirical data, which may not accurately represent all materials and conditions.
A classical/empirical potential is typically validated by comparing its predictions to experimental data and/or more accurate quantum mechanical calculations. It is also continuously refined and improved as new data becomes available.