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by agustinaucar
02 Feb 2018, 22:35
Forum: Running Dalton
Topic: .NUCMOD keyword is working fine?
Replies: 1
Views: 2327

.NUCMOD keyword is working fine?

Dear Dalton experts, I have been doing some calculations in DALTON (2015 and 2016 releases) employing the .NUCMOD keyword, and I have obtained exactly equal results of energy (and also of some NMR properties) employing both nuclear charge distribution models, i.e., point- and Gaussian-type models (....