NMR量子计算机中偶氮苯光异构化对纠缠的控制
Entanglement Control of Azobenzene by Photoisomerization in NMR Quantum Computer
摘要：
以偶氮苯为例，在NMR量子计算机中研究了光致异构分子中量子比特的纠缠控制。偶氮苯有两种不同的异构体，{ \it{} transs}-偶氮苯（TAB）和{ \it{} cis}-偶氮苯（CAB），它们可以通过光异构化相互转化。改变分子结构导致自旋-自旋耦合常数的改变，并因此导致缠结操作时间的改变。我们首先通过{ \it ab initio}计算得到了TAB和CAB的稳定结构。然后，我们计算了这些异构体的NMR谱，并验证了它们重现了实验获得的化学位移具有良好的精度。我们的结果表明，分子中的一个$^{15}$ N和一个$^{13}$ C核之间的耦合强度在光异构化作用下发生了很大的变化。
英文摘要：
Entanglement control of qubits in a photoisomerizing molecule is studied in the context of an NMR quantum computer by taking azobenzene as an example. Azobenzene has two different isomers, {\it{}trans}-azobenzene (TAB) and {\it{}cis}-azobenzene (CAB), which can be interconverted by photoisomerization. Changing molecular structure leads to change in the spin-spin coupling constant, and hence leads to change in entangling operation time. We first obtain stable structures of TAB and CAB by {\it ab initio} calculation. Then, we calculate the NMR spectra of these isomers and verify that they reproduce the chemical shift obtained experimentally with a good precision. Our result indicates that the coupling strength between a $^{15}$N and a $^{13}$C nuclei in the molecule changes by a large amount under photoisomerization.
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