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

claudio
2 weeks ago
claudio 2 weeks 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


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Ab initio (from electronic structure) calculation of complex processes in materials