Re: CCL:how to solve vibrational eigenfunctions when a potential energy surface is given



Dear Jijun Xu,
 You can use the power spectrum method: M.D. Feit, J.A. Fleck, and A. Steiger J.
 Comput. Phys. 47 412(1982)
 This may help!
 Good luck
 On Apr 26, 10:10pm, jjxu wrote:
 > Subject: CCL:how to solve vibrational eigenfunctions when a potential ener
 > Dear Sir,
 > I want to calculate molecular vibrational eigenfunctions when a
 multi-dimensional potential
 > energy surface is given.
 > Can you give me some instructions?
 > Best Regards
 > Jijun Xu
 > Dalian Institute of Chemical Physics
 >
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