强场诱导H $_2$ O中H原子的超快重排
Strong fields induce ultrafast rearrangement of H-atoms in H$_2$O
摘要：
H $_2$ O中的H原子被10 fs强激光脉冲产生的强光场重新排列，形成H $_2^+$，这与强场不可避免地导致多分子电离和随后的库仑爆炸成碎片的流行观点相反。这种原子重排发生在一个单一的10 fs的脉冲。与$\sim$ 300阿秒长的强场产生的快速硅$^{8+}$离子的结果比较，有助于建立阈值的场强和时间所需的这种重排。量子化学计算表明，当O-H键伸长到1.15 a. u时，H $_2^+$起源于H $_2$ O $^{2+}$的$^1$ A态。并且H-O-H角变为120 $^o$。在分子振动的超快时间尺度（H $_2^+$为10 fs）上的键形成迄今为止还没有报道。
英文摘要：
H-atoms in H$_2$O are rearranged by strong optical fields generated by intense, 10 fs laser pulses to form H$_2^+$, against prevailing wisdom that strong fields inevitably lead to multiple molecular ionization and the subsequent Coulomb explosion into fragments. This atomic rearrangement is shown to occur within a single 10 fs pulse. Comparison with results obtained with $\sim$300-attosecond long strong fields generated using fast Si$^{8+}$ ions helps establish thresholds for field strength and time required for such rearrangements. Quantum-chemical calculations reveal that H$_2^+$ originates in the $^1$A state of H$_2$O$^{2+}$ when the O-H bond elongates to 1.15 a.u. and the H-O-H angle becomes 120$^o$. Bond formation on the ultrafast timescale of molecular vibrations (10 fs for H$_2^+$) has hitherto not been reported.
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