[DFTB-Plus-User] External electric field

SRKC Sharma Yamijala sharmajncasr at gmail.com
Fri Mar 27 06:42:37 CET 2015


Dear all,

I would like to know how the effect of electric-field is implemented in
DFTB+. Can I get some relevant papers. Does the term goes as "-eEr" in the
Hamiltonian?

I saw Dr. Balint's paper on Lanthanides.

Sincerely,
Sharma.





********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************
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