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Author Topic: wide-band limit in molecular junctions  (Read 742 times)

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Offline jalmeida

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wide-band limit in molecular junctions
« on: December 19, 2023, 11:52 »
Hello  :)

Please, is it possible uses wide-band limit approximation to calculate electronic and phonon transport in ATK for molecular junctions? I found just an example with cnt but it uses semi-empirical model.
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Offline Anders Blom

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Re: wide-band limit in molecular junctions
« Reply #1 on: January 5, 2024, 21:21 »
No, we haven't been motivated to implement this as it doesn't seem particularly accurate.
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Offline jalmeida

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Re: wide-band limit in molecular junctions
« Reply #2 on: January 16, 2024, 11:38 »
Okay, thank you
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