Author Topic: Is the RI method a density fit calculation ?  (Read 7079 times)

golden

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Is the RI method a density fit calculation ?
« on: September 17, 2012, 07:55:56 PM »
Hi All,
  I do have more of a question about the method of RI itself.

When considering RI calculation is it the same as a density fit calculation that can be run using pure functionals in gaussian? or is there any thing more to the RI calculation?

Thanks


Turboooo

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Re: Is the RI method a density fit calculation ?
« Reply #1 on: March 15, 2013, 05:44:04 PM »
Yes, density fit calculation an RI calcualtion have the same mathematical background.
In this two papers (Chem. Rev. 2010, 110, 5023–5063 and J. Mol. Struct. (Theochem) 2000, 529,  37-40) RI and density fitting are used for the same.