# Tag Info

In multielectronic atoms we have a relatively large difference between $s$ and $d$ orbitals when they have the same $n$ quantum number, or in terms of the actual quantum mechanics when they have the same total number of nodes in the wavefunction (this being what we label as $n-1$). But in the case of transition metals the $s$ orbital that mixes in with the $... -2 I've recently done an NBO calculation on the staggered conformation of the ferrocene molecule, using the 3-21G basis set, using the embedded Gaussian engine on the free version of the WebMO application. This calculation is easily reproducible, so I am not going to post the exact details here- the important conculsion from the calculation is that there are ... 1 There seems to be a confusion in this demand. The atomic orbitals may combine if they have the same energy and if they belong to the same atom. This is the way hybrid orbitals are introduced. But this is not valid for atomic orbitals belonging to different atoms. The$1s$orbital of hydrogen can combine with a$3p$orbital from chlorine, or with a$4p\$ ...