Alexander,

Thank you for clarifying!

Best, Nikita

2011/1/6 Alexander Vozny <[email protected]>:
> The big letter P (as in Ppy for H and Pdxy for C) means that this is a
> Polarization orbital.
> But yes, it still has a py for H (dxy for C) symmetry, i.e. the spherical
> harmonics as they should be, while the radial part is numerical (from orb.
> files).
>

Responder a