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Posted: **Mon Jan 13, 2014 10:42 pm**

i calculate the dos for pure gold and for gold with one molecule adsorption.
The range of dos in gold is -6eV to +6eV. the gold with this molecule the range of dos energy goes to -1000eV to +1500eV. I don't understand this. Could someone help me ?

Posted: **Thu Sep 12, 2024 9:02 am**

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Problems with homo e lumo, and the range energy in DOS

Problems with homo e lumo, and the range energy in DOS

Re: Problems with homo e lumo, and the range energy in DOS