Generalization of the local diabatization approach for propagating electronic degrees of freedom in nonadiabatic dynamics
Author:
Funder
National Science Foundation
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-023-03007-7.pdf
Reference51 articles.
1. Chu W, Zheng Q, Prezhdo OV et al (2020) Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. Sci Adv 6:eaaw7453
2. Chu W, Saidi WA, Zhao J, Prezhdo OV (2020) Soft lattice and defect covalency rationalize tolerance of β-CsPbI3 perovskite solar cells to native defects. Angew Chem Int Ed 59:6435–6441
3. Guo H, Chu W, Zheng Q, Zhao J (2020) Tuning the carrier lifetime in black phosphorene through family atom doping. J Phys Chem Lett 11:4662–4667
4. Akimov AV (2021) Excited state dynamics in monolayer black phosphorus revisited: accounting for many-body effects. J Chem Phys 155:134106
5. Grimaldi G, Crisp RW, ten Brinck S et al (2018) Hot-electron transfer in quantum-dot heterojunction films. Nat Commun 9:2310
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