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QP energy

Posted: Mon Jan 27, 2014 9:04 pm
by fatimazahra
Hi
I want to calculate binding energy which defined as the difference between excitation energy and the QP energy. But, I don't know how to find QP energy by yambo
Thank you in advance

Re: QP energy

Posted: Mon Jan 27, 2014 9:26 pm
by Daniele Varsano
Dear Fatima,
binding energy is defined as difference between QP electronic gap and excitation energies. You can calculate it by performing a GW calculation for obtaining the QP gap and a Bethe-Salpeter calculation for the excitation energy. There are tutorials that explain how to calculate both.

Regards,
Daniele

Re: QP energy

Posted: Mon Jan 27, 2014 10:05 pm
by fatimazahra
Dr Daniele
Thank you so much for helping me.