|Message: Re: Different Ionisation energy||Not Logged In (login)|
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sorry for the some delay with the answer, because this question is post to the wrong forum. The question is not connected with geometry.
So called NIST materials properties are based on evaluated data published by the NIST experts. NIST material parameters are coherent and based on data, which experts had at a moment when they did these evaluations.
One has to take into account, that any concrete material used in a real setup, may differ from the NIST one, for example, may have different density.
If you define material by hand, mean ionisation potential is computed as an average value for components. So called "chemical" effects (molecular shells are different from single atom shells) are not taken into account.
Needless to say that both descriptions have some systematic uncertainties. We believe, that usually NIST material uncertainty is less, and recommend using these materials. However, for each case an extra evaluation of the data for given material may be performed in order to reach minimal systematic uncertainty.
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