Recent content by filippo

What would happen to a molecule adsorbed on a flat and defect-free potential surface? Would it just stay there? Or would it go somewhere?...I see it very difficult for the reaction to occur as no preferential path is present but this is just an intuition. Does anyone have an opinion/the answer?

What does orthonormality of a basis set i.e. {χ_i} stand for? I am reading the Mulliken Population Analysis and there are integrals that are simplified by this property of basis sets and I can't quite catch what is it.

As the above principle says, momentum and position can't be known both at the same time (Δx Δp ≥ h/4π); I am trying to find another example and I was thinking of energy and time following Einstein's box example...does anyone have an idea on whether it'c ocrrect or just another example?

I am trying to find a clear description of what makes the convergence of the error in electronic energy with respect to orbital basis set less rapid in CI calculations than in HF calculations. Can anyone help to find the reason?

Lambda is the quantum number for the total orbital angular momentum of the electrons about the internuclear axis. Unlike in atoms, the cylindrical symmetry created by the strong electric field of the nuclei in a linear molecule destroys the relationship [H ,L^2] = 0. Can anyone tell me...

Atoms have Terms Symbols such as S (L=0), P (L=1), D (L=2), etc...In case of molecules, L no longer exists as other symbols are uesd: which ones?

what is the difference between the two methods? thanks