calculation van der Waals force field parameters

From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Wed Feb 17 2010 - 13:27:50 CST

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Dear Namd community,
 I need to get Li - H2 van der Waals force field parameters for my
investigation. How to get them from DFT or ab initio calculations?
Thank you for your answers.

--
Sincerely yours,
Mikhail Suyetin

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