[molpro-user] Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?

[Haitao Ma]

PS

Ryan P. A. Bettens is the first author of that calcs at JCP.

Would you please send me a copy of that article JCP,112,10162-10172, 
and I will appreciate it!

yours sincerely






On Sat, 19 Nov 2005, Ryan Phillip Anthony Bettens wrote:

> 
> Those QCISD(T) calcs you mentioned were computed using Gaussian98.
> 
> Ryan P. A. Bettens 
> Assistant Professor, 
> Department of Chemistry, 
> National University of Singapore. 
> 3 Science Drive 3 
> Singapore 117543 
> Telephone: +65 6516 2846 
> FAX: +65 6779 1691 
> email: chmbrpa at nus.edu.sg 
> 
> 

-- 
=====================================================