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

The Psi-k forum mailing lists are now closed permanently. Please read this announcement about the new Psi-k mailing list.

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