CCL: Manual Work out
- From: Sanjay Bharathwaj
<computationalchemist[-]gmail.com>
- Subject: CCL: Manual Work out
- Date: Thu, 3 Nov 2011 22:15:58 +0100
Dear Folks,
I am very new to computational
chemistry,
and i am interested to know, how the programme
works.
For example, consider a simple H2
molecule.
I wish to work this geometry optimization
in a blackboard and
compare my
result with the computer obtained
results.
In this regard, i wanted to ask you if any one
of you
have done this as a tutorial, and so, would you mind
sharing it
with me please.
Best
regards,
Sanjay
--
Regards,
Dr. Sanjay Bharathwaj Kumar,
Dharmendra Institute of
Technology,
India.