Subject: Re: CCL:G:spherical -> cartesian gaussians

From: [email-masked] (Serge Pachkovsky)
Date: Thu, 19 Dec 1996 09:17:43 +0100 (MET)

> I have a wavefunction written in terms of spherical gaussian primitives 
> and I would like to rewrite it in terms of cartesian gaussians.  As you 
> would expect, I'm having no problem with s-type and p-type primitives but 
> I'm already having trouble keeping the wavefunction normalized when using 
> a d-shell of primitives.  

H.B. Schlegel, M.J. Frisch, "Transformation Between Cartesian and Pure
Spherical Harmonic Gaussians", Int. J. Quantum. Chem., vol. 54, pp. 83-87 (1995).

Regards,

/Serge.P