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arXiv 1703.04005physics.chem-ph
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纠缠相干态的量子非绝热克隆

Quantum Nonadiabatic Cloning of Entangled Coherent States

Artur F. Izmaylov, Loïc Joubert-Doriol

摘要:

提出了一种基于含时变分原理(TDVP)的核相干态纠缠组合非绝热动力学基组扩展方法. TDVP为封闭系统的全量子非绝热动力学提供了一个严格的框架,然而,结果的质量强烈依赖于可用的基函数。从一个单一的核CS垂直复制的所有电子状态,我们的方法克隆这个功能时,复制品的CS在不同的电子状态经历越来越不同的力量。创建的克隆体彼此远离(退散),扩展了基集。为了确定克隆的时刻,我们引入广义力的基础上的衍生物,最大限度地有助于总量子作用的变化,从而占纠缠的所有基函数。

英文摘要:

We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous framework for fully quantum nonadiabatic dynamics of closed systems, however, quality of results strongly depends on available basis functions. Starting with a single nuclear CS replicated vertically on all electronic states, our approach clones this function when replicas of the CS on different electronic states experience increasingly different forces. Created clones move away from each other (decohere) extending the basis set. To determine a moment for cloning we introduce generalized forces based on derivatives that maximally contribute to a variation of the total quantum action and thus account for entanglement of all basis functions.

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