How to set up the input file for calculating two-photon absorption
Posted: Fri Jul 30, 2021 9:34 am
Dear all,
Is YAMBO currently possible to calculate two-photon absorption (TPA) spectra?
I have seen several papers that have calculated TPA using Yambo (https://doi.org/10.1103/PhysRevB.98.165126, https://doi.org/10.1103/PhysRevB.96.245109). There is also a post-processing script (https://github.com/yambo-code/yambo-min ... tion_PP.py) that "extract two-photon absorption and intensity-dependent refractive index from ypp". So yambo is possible to calculate TPA?
If possible, how to set the parameters in the input file? I couldn't find any tutorials for calculating TPA in yambo or lumen. According to this NLAbsorption_PP.py, at least two field intensities are needed. But I don't know how to set. Also, since TPA is a third-order process, why does the NLAbsorption_PP.py script require input files of the first order("_order_1") instead of the third order?
Bests
Zhengran
Is YAMBO currently possible to calculate two-photon absorption (TPA) spectra?
I have seen several papers that have calculated TPA using Yambo (https://doi.org/10.1103/PhysRevB.98.165126, https://doi.org/10.1103/PhysRevB.96.245109). There is also a post-processing script (https://github.com/yambo-code/yambo-min ... tion_PP.py) that "extract two-photon absorption and intensity-dependent refractive index from ypp". So yambo is possible to calculate TPA?
If possible, how to set the parameters in the input file? I couldn't find any tutorials for calculating TPA in yambo or lumen. According to this NLAbsorption_PP.py, at least two field intensities are needed. But I don't know how to set. Also, since TPA is a third-order process, why does the NLAbsorption_PP.py script require input files of the first order("_order_1") instead of the third order?
Bests
Zhengran