论文标题
通过动量摩托车相互作用增强直径的动力：应用于苯
Enhancement of diamagnetism by momentum-momentum interaction: application to benzene
论文作者
论文摘要
芳族分子的众所周知特性是它们对外部磁场的存在高度各向异性的反应：平行于该场的磁敏感性的成分通常比其余的平面内部分量大得多。由于填充芳香环的巡回电子的离域化，这种有趣的现象是合理化的。在这项工作中，我们重新审视了芳族分子的磁性，并提出了芳香环中电子的扩展哈伯德模型，该模型考虑了它们与粘结电子之间的相互作用。我们表明，粘结电子起着重要而被忽视的作用：它们介导了巡回电子之间的有效，有吸引力的动量摩托车相互作用，从而促进了芳族环的磁反应的强大增强。对于苯的特殊情况，我们表明实验观察到的磁各向异性被恢复使用耦合常数的逼真值。
A well-known property of aromatic molecules is their highly anisotropic response to the presence of an external magnetic field: the component of their magnetic susceptibility parallel to the field is generally much larger than the remaining in-plane components. This intriguing phenomenon is rationalized as a consequence of the delocalization of the itinerant electrons that populate the aromatic ring. In this work, we revisit the magnetism of aromatic molecules and propose an extended Hubbard model for the electrons in the aromatic ring that takes into account the interaction between them and the bonding electrons. We show that the bonding electrons play an important and overlooked role: they mediate an effective, attractive momentum-momentum interaction between the itinerant electrons, which promotes a strong enhancement in the magnetic response of the aromatic ring. For the particular case of benzene, we show that the experimentally observed magnetic anisotropy is recovered with realistic values of the coupling constants.
