thanks for the answer and suggestions. I'll try to get some assistance from one of the regular developers.
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- 20 Jul 2018, 17:14
- Forum: General discussions
- Topic: Pipek-Mezey localization
- Replies: 2
- Views: 3386
Dear all, Is it possible to decompose coupling constant (J) values into localized molecular orbitals using Pipek-Mezey scheme? I did not find any information about Pipek-Mezey localized orbitals in Dalton 2016 manual. If Pipek-Mezey localization method is not available in Dalton 2016 version, is it ...