[ADF-LIST] electron and hole mobility

Fedor Goumans goumans at scm.com
Thu Jan 11 21:27:55 CET 2018

Dear Hassan,

For organic semiconductors where the charge transport is from site to site you can also use the charge transfer integrals in our molecular DFT code ADF:
https://www.scm.com/adf-modeling-suite/wizard/organic-electronics/electron-and-hole-mobilities-in-organic-electronics/ <https://www.scm.com/adf-modeling-suite/wizard/organic-electronics/electron-and-hole-mobilities-in-organic-electronics/>

Best wishes,
Fedor


> On Jan 11, 2018, at 18:45, habdulsalam at ysu.edu.ng wrote:
> 
> Dear Pier
> Thank
> On Thu, January 11, 2018 6:25 pm, Pier Philipsen wrote:
>> Dear Hassan Abdulsalam,
>> 
>> 
>> In band we offer electron and hole mobility at the effective-mass level
>> of theory.
>> 
>> https://www.scm.com/doc/BAND/Input/Effective_Mass.html#keyscheme-effectiv
>> emass
>> <https://www.scm.com/doc/BAND/Input/Effective_Mass.html#keyscheme-effecti
>> vemass>
>> 
>> There is also an example
>> 
>> 
>> https://www.scm.com/doc/BAND/Examples/EffectiveMass.html#effectivemass
>> <https://www.scm.com/doc/BAND/Examples/EffectiveMass.html#effectivemass>
>> 
>> 
>> Success, Pier
>> 
>> 
>>> Op 11 jan. 2018, om 16:33 heeft habdulsalam at ysu.edu.ng het volgende
>>> geschreven:
>>> 
>>> 
>>> Hello
>>> Can ADF be use to calculate electron and hole mobility? If yes, Pls Can
>>> you help me?
>>> 
>>> Thanks
>>> Hassan Abdulsalam
>>> Physics dept. Yobe State University Km 7 Gujba Rd, Damaturu P.M.B. 1144
>>> Yobe State, Nigeria
>>> +2348068061599
>>> _______________________________________________
>>> ADFlist mailing list
>>> ADFlist at scm.com
>>> https://lists.scm.com/mailman/listinfo/adflist
>>> 
>> 
>> _______________________________________________
>> ADFlist mailing list
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>> 
>> 
> 
> 
> Thanks
> Hassan Abdulsalam
> Physics dept. Yobe State University Km 7 Gujba Rd, Damaturu P.M.B. 1144
> Yobe State, Nigeria
> +2348068061599
> _______________________________________________
> ADFlist mailing list
> ADFlist at scm.com
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Dr. T. P. M. (Fedor) Goumans
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Software for Chemistry & Materials
Vrije Universiteit, FEW, Theoretical Chemistry
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