Author Topic: A recipe to construct RI-C auxiliary basis set for the non-standart main basis  (Read 6823 times)

evgeniy

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Hi,

I have a question concerning construction of RI-C (auxiliary) basis set for
a general case, especially when the main basis has some number of diffuse
functions. By referring to the previous post

http://www.turbo-forum.com/index.php?topic=696.0

I would like to ask if there is a "recipe" to construct auxiliary basis sets?
In particular I am interested in an auxiliary (RI-C i.e. for CC2 calculations)
basis set for the following part of the main basis set (for a ghost atom):

   1  s
 1.00000000          1.0000000000
   1  s
 0.28571429          1.0000000000
   1  s
 0.08163265          1.0000000000
   1  s
 0.02332362          1.0000000000
   1  s
 0.00666389          1.0000000000
   1  s
 0.00190397          1.0000000000
   1  p
 1.00000000          1.0000000000
   1  p
 0.28571429          1.0000000000
   1  p
 0.08163265          1.0000000000
   1  p
 0.02332362          1.0000000000
   1  p
 0.00666389          1.0000000000
   1  p
 0.00190397          1.0000000000
   1  d
 1.00000000          1.0000000000
   1  d
  0.28571429          1.0000000000
   1  d
 0.08163265          1.0000000000
   1  d
 0.02332362          1.0000000000
   1  d
 0.00666389          1.0000000000
   1  d
 0.00190397          1.0000000000

I would appreciate very much any help in solving the problem.

Best regards,
Evgeniy

Turboooo

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I am not familiar with it.
But on this side:
http://www.cosmologic.de/basis-sets/basissets.php
 are the existing base sets and where the basis sets are published. The procedure should be in the publications.

good luck