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superheavy elements with NWChem ?
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General_Topics
basis
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Miro
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Jul 2, 2023, 6:36:30 PM
7/2/23
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Hello,
I wonder if NWChem can handle superheavy elements, with provided decontracted basis sets.
I guess that Og (Z=118) should be possible to process, but how about elements Z=119,120 ?
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Miro
Miro
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Jul 9, 2023, 11:02:55 AM
7/9/23
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See
https://github.com/nwchemgit/nwchem/issues/821
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