DOE OSTI · 1978090
First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals
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Kaiser, Waldemar, Carignano, Marcelo, Alothman, Asma A., Mosconi, Edoardo, Kachmar, Ali, Goddard, William A., De Angelis, Filippo. 2021-12-07. First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals. https://doi.org/10.1021/acs.jpclett.1c03428
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