近日，美国加州理工学院Garnet Kin-Lic Chan团队报道了磁性杂质中近藤相关的精确量子多体处理。2026年7月30日出版的《科学》杂志发表了这项成果。

近藤效应是磁性杂质中的局域电子与金属基体中的巡游电子之间相互作用所产生的一种典型量子现象。尽管数十年来该现象一直作为量子多体方法的试验场，但具有材料特异性的近藤物理的精确描述仍具挑战性。

研究组提出了一种系统的从头计算方法，以趋近于对近藤关联的精确零温电子结构处理。针对一系列3d过渡金属，研究组提取的近藤温度与细微的实验趋势相吻合，其精度超越标准模型。还进一步获得了这些趋势来源的微观认识。更广泛地说，研究组展示了从完全从头计算多体模拟出发，并向收敛预测领域推进的可能性。

附：英文原文

Title: Toward an exact quantum many-body treatment of Kondo correlation in magnetic impurities

Author: Tianyu Zhu, Linqing Peng, Huanchen Zhai, Zhi-Hao Cui, Runze Chi, Garnet Kin-Lic Chan

Issue&Volume: 2026-07-30

Abstract: The Kondo effect is a prototypical quantum phenomenon arising from the interaction between localized electrons in a magnetic impurity and itinerant electrons in a metallic host. Although this phenomenon has served as the testing ground for quantum many-body methods for decades, the precise description of Kondo physics with material specificity remains challenging. Here, we present a systematic ab initio approach to converge toward an exact zero-temperature electronic treatment of Kondo correlations. Across a series of 3d transition metals, we extracted Kondo temperatures matching subtle experimental trends, with accuracy exceeding that of standard models. We further obtained microscopic insight into the origin of these trends. More broadly, we demonstrate the possibility to start from fully ab initio many-body simulations and push toward the realm of converged predictions.

DOI: adq7402

Source: https://www.science.org/doi/10.1126/science.adq7402