Subject: Gaussian free energy?

From: Renxiao Wang <[email-masked]>
Date: Tue, 15 Feb 2000 19:24:28 -0800 (PST)

Hi, CCLers!

You know if you perform a frequency calculation with Gaussian, it will
give you an "electronic and thermal free energy" in the log file. So my
question is: what is this "free energy"? Or my question could also be
described as: how does Guassian calculate the entropy?

I hope some experts here know the answer. And please also explain to me to
what problems I can apply this "free energy". Thanks a lot and I will put
back the summary.

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| Dr. Renxiao Wang                                                     | 
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| University of California Los Angeles     | Los Angeles, CA90066      | 
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| E-mail: [email-masked]                                        | 
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