Search found 2 matches

by viesser-renan
18 Aug 2018, 15:37
Forum: General discussions
Topic: Pipek-Mezey localization
Replies: 2
Views: 3386

Re: Pipek-Mezey localization

Dear magnus,

thanks for the answer and suggestions. I'll try to get some assistance from one of the regular developers.

Regards
by viesser-renan
20 Jul 2018, 17:14
Forum: General discussions
Topic: Pipek-Mezey localization
Replies: 2
Views: 3386

Pipek-Mezey localization

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 ...