CCL:G: analytic Coulomb and Exchange integrals for 2-dimensional Gaussian
functions confined to a plane
- From: Thomas Manz <thomasamanz*gmail.com>
- Subject: CCL:G: analytic Coulomb and Exchange integrals for
2-dimensional Gaussian functions confined to a plane
- Date: Wed, 2 Sep 2015 09:07:03 -0600
Hi Ulf,
Thanks for your response. I'm not familiar with analytic forms for the 1/r
the anisotropic Gaussian integrals.
Do you have a reference for these?
Sincerely,
Tom
On Wed, Sep 2, 2015 at 12:54 AM, uekstrom#%#gmail.com uekstrom#%#gmail.com <
owner-chemistry],[ccl.net> wrote:
>
> Sent to CCL by: "uekstrom=-=gmail.com" [uekstrom=-=gmail.com]
> If you want the 1/r form you can take the expressions for anisotropic
> gaussian integrals and take the planar limit, but I am not sure that
> you will end up with a closed expression, there might be one integral
> that you have to approximate. The log r integrals can be easily
> computed by a 2d fft.
>
> Regards,
> Ulf>
>
>