4
$\begingroup$

Well, let's say we have a large amount of states computed (e.g. over 50), all with the same multiplicity.

So, our ground state can be $X^2\Sigma^+_g$ and we can continue with $B^2, C^2$ etc. as described in Molecular orbitals symmetry - states notation and Letter codes in molecular term symbols.

But what is the convention of the number of states is larger, than the number of letters? Does any convention like $B^2_2$ exist?

Improve this question
$\endgroup$
3
  • $\begingroup$ My guess is that this system of letter codes loses its convenience if you are interested in more than ~10 states. It would likely be more intuitive to switch to a numerical system like $S_0$ for ground, $S_1$ for first excited singlet, etc. One issue I have hear of with this letter code is that the labels often go unchanged if a state is latter discovered to be in the wrong order. citeseerx.ist.psu.edu/viewdoc/… $\endgroup$
    – Tyberius
    May 22, 2019 at 18:25
  • $\begingroup$ @Tyberius Thank you for the answer! The new notation seems quite nice, but, unfortunately, it omits the information about symmetry which I consider to be really important. Have you ever seen some sort of "joined usage" like $D_0\Sigma^+_g, D_1\Sigma^+_u...$? $\endgroup$
    – Eenoku
    May 22, 2019 at 18:48
  • $\begingroup$ I haven't seen it before, but I think it would be understood correctly. $\endgroup$
    – Tyberius
    May 22, 2019 at 18:57

0

Reset to default

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Browse other questions tagged or ask your own question.