Timeline for Is it possible to make segmented contracted basis sets for correlated calculations?
Current License: CC BY-SA 4.0
7 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Apr 5, 2021 at 19:57 | history | edited | Susi Lehtola | CC BY-SA 4.0 |
added 136 characters in body
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| Jan 5, 2021 at 20:23 | vote | accept | S R Maiti | ||
| Jan 5, 2021 at 20:23 | history | bounty ended | S R Maiti | ||
| Jan 4, 2021 at 20:32 | comment | added | Nike Dattani - No Free Time | Because of the bounty that was spent here, I sent the question to Susi, along with a couple other people who do work in this area. Wim Klopper, leader of the TURBOMOLE software that works very well with def2 basis sets, has replied with "the answer to the question by Susi Lehtola is perfect. In particular, the segmented Karlsruhe basis set with “PP” are meant for correlated calculations." | |
| Jan 1, 2021 at 21:24 | vote | accept | S R Maiti | ||
| Jan 2, 2021 at 23:01 | |||||
| Jan 1, 2021 at 21:11 | vote | accept | S R Maiti | ||
| Jan 1, 2021 at 21:11 | |||||
| Jan 1, 2021 at 21:07 | history | answered | Susi Lehtola | CC BY-SA 4.0 |