Non-linear optics with Yambo

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

Post Reply
javad
Posts: 44
Joined: Fri Feb 28, 2014 10:23 pm

Non-linear optics with Yambo

Post by javad » Sat Mar 29, 2014 10:23 am

Dear Developers

I saw these two papers just published with Yambo:

Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second-and third-harmonic generation in semiconductors
C Attaccalite, M Grüning
Physical Review B 88 (23), 235113

and

Second Harmonic Generation in h-BN and MoS $ _2 $ monolayers: the role of electron-hole interaction
M Grüning, C Attaccalite
Phys. Rev. B 89, 081102(R)

is it possible to calculate the non-linear response with Yambo? I mean SHG and THG?
how? and at which level of approximation?

best regards
Javad
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

User avatar
Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Non-linear optics with Yambo

Post by Daniele Varsano » Sat Mar 29, 2014 10:43 am

Dear javad.
These are new features of the code and are not yet in the gpl release. Hopefully they will be released soon.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Post Reply