TURBOMOLE Users Forum
Forum General => Miscellaneous => Topic started by: evgeniy on May 15, 2013, 08:15:25 PM
-
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
-
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