[1] S I Peka. Theory of F-centers. Zh Eksp Theor Fiz, 20, 510(1950).

[2] K Huang. Theory of light absorption and non-radiative transitions in F-centres. Phys Proc Roy Soc A, 204, 406(1950).

[3] V A Kovaskiy. Theory of nonradiative transitions in noncondon approximation: Low temperatures. Phys Solid State, 4, 1635(1962).

[4] V A Kovarskiy, I A Tchaikovskiy, E P Sinyavskiy. Quantum kinetic equations for processes with nonradiative recombination. Phys Solid State, 8, 2129(1964).

[5] R Passler. Description of nonradiative multiphonon transitions in the static coupling scheme. Czecho J Phys, 24, 322(1974).

[6] R Passler. Description of nonradiative multiphonon transitions in the static coupling scheme II. Approximations. Czecho J Phys, 25, 219(1975).

[7] K F Freed, J Jortner. Multiphonon processes in the nonradiative decay of large molecules. J Chem Phys, 52, 6272(1970).

[8] K Huang. Adiabatic approximation theory and static coupling theory of nonradiative transitons. Scientia Sinica, 24, 27(1981).

[9] K Huang. Lattice relaxation and theory of multiphonon transitions. Prog Phys, 1, 31(1981).

[10]

[11] C Zener. Non-adiabatic crossing of energy levels. Proc Roy Soc A, 137, 696(1932).

[12] R A Marcus. Electron transfer reactions in chemistry. Theory and experiment. Rev Mod Phys, 65, 599(1993).

[13] C H Henry, D V Lang. Nonradiative capture and recombination by multiphonon emission in GaAs and GaP. Phys Rev B, 15, 989(1977).

[14] A Alkauskas, Q Yan, C G Van de Walle. First-principles theory of nonradiative carrier capture via multiphonon emission. Phys Rev B, 90, 075202(2014).

[15] L Shi, g L W Wang. Ab initio calculations of deep-level carrier nonradiative recombination rates in bulk semiconductors. Phys Rev Lett, 109, 245501(2012).

[16] L Shi, u K Xu, g L W Wang. Reply to " Comment on ‘Comparative study ofab initiononradiative recombination rate calculations under different formalisms’ ”. Phys Rev B, 97, 077302(2018).

[17] Y Y Liu, F Zheng, g X Jiang et al. Ab initio investigation of charge trapping across the crystalline–Si–amorphous–SiO₂ interface. Phys Rev Appl, 11, 044058(2019).

[18] P Nalbach, t M Thorwart. Landau-Zener transitions in a dissipative environment: numerically exact results. Phys Rev Lett, 103, 220401(2009).

[19] S S Zhang, o W Gao, g H Cheng et al. Symmetry-breaking assisted Landau-Zener transitions in Rydberg atoms. Phys Rev Lett, 120, 063203(2018).

[20] S W Wei. Overcoming the doping bottleneck in semiconductors. Comput Mater Sci, 30, 337(2004).

[21] S Lany, r A Zunger. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs. Phys Rev B, 78, 235104(2008).

[22] C Freysoldt, B Grabowski, T Hickel et al. First-principles calculations for point defects in solids. Rev Mod Phys, 86, 253(2014).

[23] J Heyd, a G E Scuseria, f M Ernerhof. Hybrid functionals based on a screened Coulomb potential. J Chem Phys, 118, 8207(2003).

[24] J L Lyons, C G Van de Walle. Computationally predicted energies and properties of defects in GaN. npj Comput Mat, 3, 12(2017).

[25]

[26] F J A Ferrer, o J Cerezo, o J Soto et al. First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening. Comput Theor Chem, 1040, 328(2014).

[27] A Baiardi, o J Bloino, e V Barone. General time dependent approach to vibronic spectroscopy including Franck–Condon, Herzberg–Teller, and Duschinsky effects. J Chem Theory Comput, 9, 4097(2013).

[28] R Borrelli, o A Capobianco, o A Peluso. Generating function approach to the calculation of spectral band shapes of free-base Chlorin including Duschinsky and Herzberg-Teller effects. J Phys Chem A, 116, 9934(2012).

[29] S H Lin. Rate of interconversion of electronic and vibrational energy. J Chem Phys, 44, 3759(1966).

[30]

[31] L Shi, u K Xu, L W Wang. Comparative study of ab initio nonradiative recombination rate calculations under different formalisms. Phys Rev B, 91, 205315(2015).

[32] Y Aratat, F M Mohammedy, n M M S Hassan. Optical and other measurement techniques of carrier lifetime in semiconductors. Int J Optoelectron Eng, 2, 5(2012).

[33] S Kim, d S N Hood, h A Wash. Anharmonic lattice relaxation during nonradiative carrier capture. Phys Rev B, 100, 041202(2019).

[34] J H Yang, L Shi, g L W Wang et al. Non-radiative carrier recombination enhanced by two-level process: a first-principles study. Sci Rep, 6, 21712(2016).

[35] Z Wang, i S S Li, g L W Wang. Efficient real-time time-dependent density functional theory method and its application to a collision of an ion with a 2D material. Phys Rev Lett, 114, 063004(2015).

[36] J Kang, g L W Wang. Nonadiabatic molecular dynamics with decoherence and detailed balance under a density matrix ensemble formalism. Phys Rev B, 99, 224303(2019).