Reweighting in PIMC enables estimation of linear, nonlinear, and cross-species static density responses purely from unperturbed system simulations.
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Octahedral tilting in halide double perovskites correlates primarily with the Goldschmidt tolerance factor t, with lone-pair effects largely explained by associated ionic sizes.
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Octahedral Tilting in Halide Double Perovskites: Disentangling Lone-Pair Chemistry and Geometric Effects
Octahedral tilting in halide double perovskites correlates primarily with the Goldschmidt tolerance factor t, with lone-pair effects largely explained by associated ionic sizes.