From owner-chemistry@ccl.net Tue Apr 26 03:26:01 2016
From: "SOMANANDA SANYAL somananda.sanyal-.-gmail.com" <owner-chemistry^-^server.ccl.net>
To: CCL
Subject: CCL: Query regarding the sign convention of applied electric field
Message-Id: <-52155-160426032438-10680-9ByEhgSJzx+m+je1QgFFbQ^-^server.ccl.net>
X-Original-From: "SOMANANDA  SANYAL" <somananda.sanyal[]gmail.com>
Date: Tue, 26 Apr 2016 03:24:37 -0400


Sent to CCL by: "SOMANANDA  SANYAL" [somananda.sanyal-.-gmail.com]
Dear All, 
           
                 I have a query regarding the sign convention followed for the 
application of external electric field in G09. I am applying the field (say 
along z-axis), from the positive terminal of the molecule to the negative, 
based on the Cartesian z-axis. 

    In the online user manual, one line is mentioned: 'Note that the 
coefficients are those of the Cartesian operator matrices; care must be taken 
regarding the choice of sign convention when interpreting the results.' Can 
you please explain the Cartesian operator matrix sign convention? I fail to 
understand the convention and the result seems weird too. 

Thanking you in advance. 

With regards,
Somananda Sanyal