Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…

Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.

In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.

Lumen: ab-initio non-linear optical response in ... (No replies)

claudio

7 years ago

claudio 7 years ago

Lumen is ab-initio code derived from Yambo 4.1.3 that implements real-time

response in bulk materials. Differently from other codes Lumen works in 

length gauge using the dynamical Berry phase approach. The code is particularly

designed to calculate second and third-harmonic generation in solids.

 

Correlation effects can be included at different level of approximation:

 

- independent particle with or without scissor operator
- Time-dependent Hartree (RPA)

- Time-dependent Density Functional Theory (TD-DFT)

- Time-dependent Polarization Density Functional Theory (TD-PDFT)

- Real-time Bethe-Salpter equation (RT-BSE) [only for small systems]

 

The code includes also the possibility of using spin-orbit coupling and polarized light.

 

The Lumen code is distributed under the GPL licence. 

Visit http://www.attaccalite.com/lumen/  to obtain the code, as well as articles, 

tutorials and examples.

 

Claudio Attaccalite & Myrta Gruning