Weak van der Waals interactions have a notorious influence on the stability of molecular solids and layered materials. In light of this fact, accurate models have been designed to account for such long-range interactions. Here, we explore the influence of the dispersion on the structural properties of dense rutile-type ${\mathrm{SiO}}_2$, ${\mathrm{GeO}}_2$, ${\mathrm{SnO}}_2$, and ${\mathrm{PbO}}_2$ structures. Several dispersion methods are discussed including pairwise force field and more physically grounded methods such as the so-called many body dispersion and nonlocal correlation functionals. The results clearly show that such methods and functionals have influence on the predicted crystal structure of the investigated solids, usually improving the structural properties with a reduction of the errors with respect to experiment. In particular, Perdew-Burke-Ernzerhof (PBE) coupled with many body dispersion (MBD)@rsSCS emerges as the most suitable method showing the lowest relative errors. Interestingly, this method reproduces similar results to those obtained by the PBEsol generalized gradient approach (GGA) functional designed to reproduce crystal structures without considering dispersion terms. Finally, we want to point out that the present study suggests that the proper inclusion of dispersion allows one to improve the description of the crystal structure and, consequently, due to the sensibility of either electronic and magnetic properties to it, methods coupling a suitable description of dispersion to a standard PBE GGA functional would lead to an improved description of crystalline solids.

中文翻译：

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综合分析分散体对14组金红石型固体的影响

弱的范德华相互作用对分子固体和层状材料的稳定性有臭名昭著的影响。鉴于这一事实，已经设计了精确的模型来说明这种远程交互作用。在这里，我们探索分散对致密金红石型结构性能的影响${\mathrm{二氧化硅}}_2$， $O_2$， ${锡}_2$和 ${铅}_2$结构。讨论了几种色散方法，包括成对力场和更多基于物理的方法，例如所谓的“多体色散”和“非局部相关函数”。结果清楚地表明，此类方法和功能会影响所研究固体的预测晶体结构，通常会改善结构性能，并减少实验误差。特别是，Perdew-Burke-Ernzerhof（PBE）结合许多身体分散（MBD）@rsSCS成为了显示最低相对误差的最合适方法。有趣的是，此方法可再现与通过PBEsol广义梯度法（GGA）功能获得的结果类似的结果，该功能旨在再现晶体结构而无需考虑色散项。最后，