Subject: Calculations of Localized Orbitals

From: Arvydas Tamulis <[email-masked]>
Date: Tue, 24 Apr 2001 12:18:33 +0200 (EET)

Dear Netters,

We have performed Gaussian98 DFT geometry optimization of the copper
white phosphorus complex [Cu(Cl2)(CH3OH)(NH3)(P4)]0
and now whish to find the localized orbitals in this complex.
We tried to obtain these localized orbitals by GAUSSIAN 98 package,
however, the calculation of the localize orbital of the above complex
applied AIM=BO command was not succesfull.
Maybe you can advise other methods for calculations the localized
orbitals existing in the GAUSSIAN 98 or in our possessing
GAMESS-US and DALTON packages (or in other free packages).

Thanking your in advance.
With best regards, Arvydas Tamulis c/o Jelena Tamuliene
******************************************************
           Arvydas Tamulis

Doctor of Natural Sciences, senior research fellow

Institute of Theoretical Physics and Astronomy,
Theoretical Molecular Electronics Research Group,
A. Gostauto 12, Vilnius 2600, Lithuania
e-mail: [email-masked]; WEBsite: http://www.itpa.lt/~tamulis/
fax: +(370-2)-225361  or  +(370-2)-224694
Phone: +(370-2)-620861
Home address: Didlaukio 27-40, Vilnius 2057, Lithuania
Phone: +(370-2)-778743