论文标题
解离极限的相关悖论：量子信息的角度
Correlation paradox of the dissociation limit: A quantum information perspective
论文作者
论文摘要
分子系统中电子相互作用与几何形状之间的相互作用会导致相当悖论的情况。主要的例子是氢分子的解离极限：虽然两个核之间的距离$ r $的显着增加使电子电子相互作用边缘化，但是确切的基态确实没有采用单个slater决定因素的形式。通过首次审查量子信息理论的概念，我们以定量的方式解决了这种悖论及其对更复杂系统的概括。更具体地说，我们说明并证明由于有限的热噪声，甚至可能只是无限的温度，温度$ t $将破坏超出关键分离距离$ r _ {\ mathrm {crit}}} $（$ t $）的纠缠。从某种意义上说，我们的分析是全面的，我们同时讨论了粒子图片以及轨道/模式图片中的总相关性和纠缠。我们的结果在概念上揭示了基态静态和动态相关性的新表征，通过将它们与相关相关相关的（非）鲁棒性相关性相关。
The interplay between electron interaction and geometry in a molecular system can lead to rather paradoxical situations. The prime example is the dissociation limit of the hydrogen molecule: While a significant increase of the distance $r$ between the two nuclei marginalizes the electron-electron interaction, the exact ground state does, however, not take the form of a single Slater determinant. By first reviewing and then employing concepts from quantum information theory, we resolve this paradox and its generalizations to more complex systems in a quantitative way. To be more specific, we illustrate and prove that thermal noise due to finite, possibly even just infinitesimally low, temperature $T$ will destroy the entanglement beyond a critical separation distance $r_{\mathrm{crit}}$($T$) entirely. Our analysis is comprehensive in the sense that we simultaneously discuss both total correlation and entanglement in the particle picture as well as in the orbital/mode picture. Our results reveal a conceptually new characterization of static and dynamical correlation in ground states by relating them to the (non)robustness of correlation with respect to thermal noise.
