Rocinante is a special version of Yambo suited for real-time spectroscopy in periodic systems. In our approach the coupling between the external field and the electrons is described by means of Modern Theory of Polarization, while correlation effects are derived from Green’s function theory.
A similar methodology has been also implemented by Yabana-Bertsch within the TDDFT framework (here the Yabana-Bertsch code). and recently coded in CP2K, Siesta and QuantumEspresso(CE-TDDFT).
- Second Harmonic Generation in h-BN and MoS2 monolayers: the role of electron-hole interaction
M. Grüning, C. Attaccalite
Phys. Rev. B 89, 081102(R) (2014)
- 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
Phys. Rev. B, 88, 235113 (2013)
- A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation
Claudio Attaccalite, Myrta Grüning and Andrea Marini
Phys. Rev. B 84, 245110 (2011)