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EHT weighting scheme.
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Topic: EHT weighting scheme. (Read 2655 times)
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Brave
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EHT weighting scheme.
«
on:
October 6, 2013, 19:04 »
Is it possible to input a new user defined weighting constant while using the Extended Huckel theory based calculator?
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Anders Blom
QuantumATK Staff
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Re: EHT weighting scheme.
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Reply #1 on:
October 7, 2013, 00:24 »
You can define your own entire Huckel basis set; see
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.slaterorbital.html
and
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.huckelbasisparameters.html
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Brave
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Re: EHT weighting scheme.
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Reply #2 on:
October 7, 2013, 20:41 »
Thank you very much.
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EHT weighting scheme.