sb.jl

Julia package to simulate Spin Boson dynamics using the Correlated Electron Ion Dynamics method described in:

• Horsfield, A. P., Bowler, D. R., Fisher, A. J., Todorov, T. N., & Sánchez, C. G. (2005). Correlated electron–ion dynamics: the excitation of atomic motion by energetic electrons. Journal of Physics. Condensed Matter : an Institute of Physics Journal, 17(30), 4793–4812.

and the Effective Correlated Electron Ion Dynamics Method described in:

• Rizzi, V., Todorov, T. N., Kohanoff, J. J., & Correa, A. A. (2016). Electron-phonon thermalization in a scalable method for real-time quantum dynamics. Physical Review B, 93(2), 375.

The discretization of bath modes is carried out according to the algorithm proposed in:

• Wang, H. (2000). Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem. Journal of Chemical Physics, 113(22), 9948–9956.

Supporting and citing

The software in this repository was developed as part of academic research. If you use the software in this repository as part of your research, teaching, or other activities, we would be grateful if you could cite our work.

Funding

The development of this package is funded partially by the following grants:

• “Advanced theoretical network for modeling light matter interactIon - ATLANTIC”, European Union's Horizon 2020 research and innovation program under Marie Sklodowska-Curie Actions (2019-2023) under grant agreement No 823897.

• “Espectroscopía in silico”, Agencia Nacional de Promoción Científica y Tecnológica, Argentina, PICT-2017-1506, Temas Abiertos, Tipo A

• “Espectroscopía in silico”, Consejo de Investigaciones Científicas y Técnicas (CONICET), Argentina, PIP 2017-11220170100892CO.