Hi All,

What is the order of the angular momentum polynomials in psi4? I am currently accessing the results of a computation via: psi4.core.GaussianShell. This provides the angular momentum for the shell, but not the ordering of the polynomials.

So far I know that: $S, P_z, P_x, P_y$ is correct (from ensuring the electron density is the same under rotation).

From the ordering of the $P$ orbitals I would assume the $D$ orbitals are ordered:

$D_{zz}, D_{zx}, D_{zy}, D_{xx}, D_{xy}, D_{yy}$

And the $F$:

$F_{zzz}, F_{zzx}, F_{zzy}, F_{zxx}, F_{zxy}, F_{zyy}, F_{xxx}, F_{xxy}, F_{xyy}, F_{yyy}$

Is this correct or have I misunderstood?

Thanks in advance!