[ase-users] TDDFT with voltage bias

[Alessandro Pirrotta]

Dear ASE community,

Is it possible to carry out a linear response TDDFT calculation on a nano junction where a voltage bias is applied?

Cheers,
Alessandro
—— 
Alessandro Pirrotta
PhD student
 
Faculty of Science
Department of Chemistry &
Nano-Science Center
University of Copenhagen
Universitetsparken 5, C321
2100 Copenhagen Ø
Denmark

DIR +45 21 18 11 90
MOB +45 52 81 23 41

alessandro.pirrotta at chem.ku.dk <mailto:alessandro.pirrotta at chem.ku.dk>
http://nano.ku.dk/english/research/nanochemistry/solomon_group/ <http://nano.ku.dk/english/research/nanochemistry/solomon_group/>
www.ki.ku.dk <http://www.ki.ku.dk/>
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