From owner-chemistry@ccl.net Wed Sep 2 11:08:01 2015 From: "Thomas Manz thomasamanz(-)gmail.com" To: CCL Subject: CCL:G: analytic Coulomb and Exchange integrals for 2-dimensional Gaussian functions confined to a plane Message-Id: <-51661-150902110712-32414-UZ+ZVduTPs1kn/8Vf0PwNg[-]server.ccl.net> X-Original-From: Thomas Manz Content-Type: multipart/alternative; boundary=001a11353f1ef04db2051ec50447 Date: Wed, 2 Sep 2015 09:07:03 -0600 MIME-Version: 1.0 Sent to CCL by: Thomas Manz [thomasamanz]-[gmail.com] --001a11353f1ef04db2051ec50447 Content-Type: text/plain; charset=UTF-8 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> > > --001a11353f1ef04db2051ec50447 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Ulf,

Thanks for your response. I'= ;m not familiar with analytic forms for the 1/r the anisotropic Gaussian in= tegrals.
Do you have a reference for these?

<= div>Sincerely,

Tom

On Wed, Sep 2, 2015 at 12:54 AM, ueks= trom#%#gmail.com uekstrom#%#gmail.com <owner-chemistry],[ccl.net>= wrote:

Sent to CCL by: "uekstrom=3D-=3Dgmail.com" [uekstrom=3D-=3Dgmail.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



-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY],[ccl.n= et or use:
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/cgi-bin/ccl/s= end_ccl_message

E-mail to administrators: CHEM= ISTRY-REQUEST],[ccl.net or use
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/cgi-bin/ccl/s= end_ccl_message

Subscribe/Unsubscribe:
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/chemistry/sub_un= sub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs
Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/sear= chccl/index.shtml
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/ins= tructions/



--001a11353f1ef04db2051ec50447--