Recently read that electrons pair up to cancel out magnetic field produced due to their spin but does this also cancel magnetic field produced due to orbital motion. Simply what happens due to orbital magnetic field

I recently came across a question comparing the average radius of subshells. A search on the internet gave the following result for single electron atoms: $$\langle r\rangle_{n,\,l}=\frac{a_0 n^2 \left(\frac{1}{2} \left(1-\frac{l (l+1)}{n^2}\right)+1\right)}{Z}$$ Thus, the average radius should d...

I have been reading a few papers on canonical SMILES strings recently and to me it seems like the canonization procedure most of the time relies on adding additional chemical information into the SMILES string representation. Now I am wondering: Is there an algorithm that can compute some type of...

Recently I prototyped a couple ML models that essentially solved a few business problems that our company was facing in a more simplistic fasion. Unfortunately when I got the opportunity to present the solutions to our management group (who are non-technical), they couldnt follow along even the b...

My major is not chemistry and I am trying to understand the Hamiltonian core of the Fragment Molecular Orbital (FMO) method. I think it should be the normal Hamiltonian core of the restricted Hartree-Fock plus two other terms: nuclei attraction between other fragments and the current fragment in ...