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arXiv quant-ph/0610238quant-ph
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相互作用分子中电子的纠缠

Entanglement of electrons in interacting molecules

Tina A. C. Maiolo, Fabio Della Sala, Luigi Martina, Giulio Soliani

摘要:

量子纠缠是一个通常用于描述量子系统中存在某些关联的概念,这些关联没有经典解释。它是一个有用的资源,以增强内存通道的互信息或加速一些量子过程,例如,在Shor算法的因式分解。此外,纠缠是一个物理观测直接衡量的冯诺伊曼熵的系统。我们用这个概念是为了给相互作用的电子系统中的电子相关能一个物理意义。电子关联不能直接观察到,因为它被定义为多电子薛定谔方程的精确基态能量与Hartree-Fock能量之间的差。对于氢分子,我们用组态相互作用方法计算了关联能,并与纠缠度作了比较。然后,本着同样的精神,我们分析了乙烯的二聚体,它代表了最简单的有机共轭体系,改变分子的相对取向和距离,以获得对应于最大纠缠的构型。

英文摘要:

Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels or to accelerate some quantum processes as, for example, the factorization in Shor's Algorithm. Moreover, entanglement is a physical observable directly measured by the von Neumann entropy of the system. We have used this concept in order to give a physical meaning to the electron correlation energy in systems of interacting electrons. The electronic correlation is not directly observable, since it is defined as the difference between the exact ground state energy of the many--electrons Schroedinger equation and the Hartree--Fock energy. We have calculated the correlation energy and compared with the entanglement, as functions of the nucleus--nucleus separation using, for the hydrogen molecule, the Configuration Interaction method. Then, in the same spirit, we have analyzed a dimer of ethylene, which represents the simplest organic conjugate system, changing the relative orientation and distance of the molecules, in order to obtain the configuration corresponding to maximum entanglement.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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