Subject: Interaction between the anion and cation?

From: Guo Jian-Xin <[email-masked]>
Date: Wed, 27 Nov 1996 10:37:14 +0800 (CST)

Dear Netters:
    I would like to calculation the interaction between the radical 
anion and cation. for the first step, the geometry of the radical-ion pairs 
should be obtained. My question is:
1. how can we deal with the charge? In my knowledge, I have not found a
program that can finish this work.
2. The coulumb attractive force between the two charge can not be calculated.
a better method is to add a potential to the Hamitonian. are there any
other method in the quantum chemical calculation?
I will summarize the replies if interested.

Thank in advances.

Jianxin Guo
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*   Guo, Jian-xin               *  Telephone: (++86+010) 2563101    *
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