TURBOMOLE Users Forum
Welcome,
Guest
. Please
login
or
register
.
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
Home
Help
Search
Login
Register
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Ridft, Rdgrad, Dscf, Grad
»
Is the RI method a density fit calculation ?
« previous
next »
Print
Pages: [
1
]
Author
Topic: Is the RI method a density fit calculation ? (Read 7079 times)
golden
Full Member
Posts: 34
Karma: +0/-0
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
Logged
Turboooo
Jr. Member
Posts: 19
Karma: +0/-0
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.
Logged
Print
Pages: [
1
]
« previous
next »
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Ridft, Rdgrad, Dscf, Grad
»
Is the RI method a density fit calculation ?