Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and require solving the grand-challenge problem of the many-electron Schr"{o}dinger equation. An infinite chain of equispaced hydrogen atoms is perhaps the simplest realistic model for a bulk material, embodying several central themes of modern condensed matter physics and chemistry, while retaining a connection to the paradigmatic Hubbard model. Here we report a combined application of cutting-edge computational methods to determine the properties of the hydrogen chain in its quantum-mechanical ground state. Varying the separation between the nuclei leads to a rich phase diagram, including a Mott phase with quasi long-range antiferromagnetic order, electron density dimerization with power-law correlations, an insulator-to-metal transition and an intricate set of intertwined magnetic orders.

中文翻译：

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氢链的基态性质：二聚化，绝缘体到金属的过渡和磁相

在现实原子环境中，许多相互作用的电子的量子力学行为的准确和预测性计算对于具有所需特性的材料的理论设计至关重要，并且需要解决多电子Schr“ {o} dinger方程的大挑战问题。无限长的等距氢原子链可能是散装材料的最简单的现实模型，它体现了现代凝聚态物理和化学的几个中心主题，同时保留了与范式哈伯德模型的联系。边缘计算方法来确定氢链在其量子力学基态下的性质。改变原子核之间的间隔会产生丰富的相图，包括具有准远距离反铁磁序的Mott相，具有幂律相关性的电子密度二聚化，绝缘体到金属的跃迁以及错综复杂的交织的磁阶。