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29 votes
1 answer
108k views

What are t2g and eg in CFT?

In the crystal field theory (CFT), when the splitting of the d-orbital occurs, it gets divided into two parts. The upper part with higher energy is the $\mathrm{e_g}$ and the lower part with lower ...
NeilRoy's user avatar
  • 1,693
5 votes
1 answer
14k views

What is difference between T1g and T2g?

I know that the “$\mathrm{g}$” stands for symmetry of octahedral shape, but how are labels “1” and “2” given in $\mathrm{A_{1g}}$ and $\mathrm{A_{2g}}$ representations too… Is it related to group ...
ChemNomad's user avatar
  • 123
4 votes
1 answer
365 views

Molecular orbitals symmetry - states notation

I'm reading some papers and I'm repeatedly seeing the following notation of system states: Could you, please, explain to me the meaning of it? E.g. the state $B^2 \Sigma_u^+$ - I'm aware, that $\...
Eenoku's user avatar
  • 1,267
4 votes
0 answers
63 views

Multiplicity letter codes for large amount of states

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 ...
Eenoku's user avatar
  • 1,267