Building bridges: matching density functional theory with experiment
Building bridges: matching density functional theory with experiment
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搭建桥梁：将密度泛函理论与实验相匹配
DOI：
10.1080/00107514.2019.1578079
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发表时间：
2019
影响因子：
2
通讯作者：
Bowler D
中科院分区：
文献类型：
--
作者：
Bowler D
我们将讨论密度泛函理论(DFT)中的关键概念，如何将其用于模拟实验数据，并考虑密度泛函理论与实验之间的协同如何提供重要的见解。讨论将集中在扫描隧道显微镜(STM)和表面问题，跟踪作者的个人兴趣，尽管一般原则是广泛适用的。
We will discuss the key concepts in density functional theory (DFT), how it can be used to model experimental data, and consider how the synergy between DFT and experiment can give significant insights. The discussion will centre on the scanning tunnelling microscope (STM) and surface problems, tracking the author's personal interest, though the general principles are widely applicable.