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The connubium between crystallography and quantum mechanics
Crystallography Reviews ( IF 2.0 ) Pub Date : 2020-10-01 , DOI: 10.1080/0889311x.2020.1853712
Piero Macchi 1, 2
Affiliation  

By rephrasing the incipit of one of the most influential books: a spectre is haunting science, the spectre of quantum crystallography. This name is ever more frequent in the scientific literature and very appealing. Though, what does it reflect? Both crystallography and quantum mechanics are branches of science, although perceived in an inappropriate way: crystallography is often a synonymous for X-ray diffraction whereas quantum mechanics is intended as computational physics or chemistry. Both diffraction and computation are not sciences, but techniques. Establishing the quantum mechanical paradigm was one of the most important scientific revolutions, which changed the perspective of physics and unveiled the nature of small particles. Instead, crystallography is an old science, anciently started when the search for naturally grown materials was vital. The curiosity for crystal morphologies and growth led to more in-depth descriptive analyses and classifications of minerals. Contemporarily, the mathematical description of periodic structures developed. Everything changed abruptly when X-rays were discovered, offering a new light to look inside crystals and unveil their content at an atomic resolution, and even beyond, where quantum mechanics dominates. The purpose of this review is to illustrate how profound and long standing is the entanglement between the two sciences.

中文翻译:

晶体学和量子力学之间的联系

通过改写最有影响力的书籍之一的开头:一个幽灵困扰着科学,量子晶体学的幽灵。这个名字在科学文献中越来越频繁,而且非常吸引人。然而,它反映了什么?晶体学和量子力学都是科学的分支,尽管以一种不恰当的方式被理解:晶体学通常是 X 射线衍射的同义词,而量子力学旨在作为计算物理或化学。衍射和计算都不是科学,而是技术。建立量子力学范式是最重要的科学革命之一,它改变了物理学的视角,揭示了小粒子的本质。相反,晶体学是一门古老的科学,古时开始寻找自然生长的材料至关重要。对晶体形态和生长的好奇导致对矿物进行更深入的描述性分析和分类。同时,周期性结构的数学描述得到发展。当 X 射线被发现时,一切都突然发生了变化,它提供了一种新的光线来观察晶体内部并以原子分辨率揭示它们的内容,甚至在量子力学占主导地位的情况下甚至更远。这篇评论的目的是为了说明这两门科学之间的纠葛是多么深刻和长久。当 X 射线被发现时,一切都突然发生了变化,它提供了一种新的光线来观察晶体内部并以原子分辨率揭示它们的内容,甚至在量子力学占主导地位的情况下甚至更远。这篇综述的目的是为了说明这两门科学之间的纠葛是多么深刻和长久。当 X 射线被发现时,一切都突然发生了变化,它提供了一种新的光线来观察晶体内部并以原子分辨率揭示它们的内容,甚至在量子力学占主导地位的情况下甚至更远。这篇评论的目的是为了说明这两门科学之间的纠葛是多么深刻和长久。
更新日期:2020-10-01
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