Subject: numerical solution of Schroedinger equation

From: Arbouznikov Alexei <[email-masked]>
Date: Thu, 30 Jul 1998 09:41:08 +0200 (MDT)

Dear CCL'ers,

	I would be very much obliged to anybody who could give me
any references on the following subject:

	(1) numerical solution of Schroedinger equation for the simplest
two-electron systems (i.e., Helium atom or H2 molecule) - I believe, it's
impossible that such kind of work has never been done;

	(2) any available software for solving numerically the
partial differential equations with singularities. 

	Summary is guaranteed.

	Regards,

	Dr. Alexei Arbouznikov
        Ecole Nationale Superieure de Chimie,
	Laboratoire de Materiaux Catalytiques et Catalyse en
	Chimie Organique, UMR 5618 CNRS-ENSCM - Prof. F.Fajula,
        8, rue de l'Ecole Normale
        34296 Montpellier, Cedex 5
        FRANCE

        Telephone: (33) 4-67-14-72-68
        Fax:   (33) 4-67-14-43-49
        E-mail: [email-masked]

---

From: Leif Laaksonen <[email-masked]>
Date: Thu, 30 Jul 1998 11:12:04 +0300 (GFT Daylight Time)

Alexei,

Pekka Pyykkö, Dage Sundolm and I worked on the numerical solutions
for the Schrödinger and Dirac equations for diatomic molecules 
during the 80's. The numerical program for the Schrödinger equation
is avalailable at:

http://laaksonen.csc.fi/num2d.html

For some references to our work please have a look at:

http://laaksonen.csc.fi/publications.html

Regards,

-leif laaksonen

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On Thu, 30 Jul 1998, Arbouznikov Alexei wrote:

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