H $_3$ O PDMATHAAB和D $_3$ O $^+$灵敏度系数的精确预测
Accurate prediction of H$_3$O$^+$ and D$_3$O$^+$ sensitivity coefficients to probe a variable proton-to-electron mass ratio
摘要：
用TROVE~ \citep{TROVE:2007}程序研究了H $_3{}^{16}$ O $^+$、H $_3{}^{18}$ O $^+$和D $_3{}^{16}$ O $^+$的振转反转跃迁的质量灵敏度。计算采用新的高级别的\textit{ab initio}势能和偶极矩表面。随着质量的依赖性，频率数据和爱因斯坦A系数计算所有的过渡探测。特别注意的是$Δ|k|=3$和$Δ|k-l|=3$过渡包括偶然巧合的$|J,K\!=\!0,v_2\!=\!0^+\rangle$和$|J,K\!=\!3,v_2\!=\!0^-\rangle$旋转反转能级。新计算的探针表现出与氨和甲醇对应物相当的灵敏度，从而证明了它们测试质子-电子质量比的宇宙学稳定性的潜力。理论TROVE结果与使用非刚性和刚性逆变器近似模型获得的灵敏度密切一致，证实本研究中使用的\textit{ab initio}理论是足够的。
英文摘要：
The mass sensitivity of the vibration-rotation-inversion transitions of H$_3{}^{16}$O$^+$, H$_3{}^{18}$O$^+$, and D$_3{}^{16}$O$^+$ is investigated variationally using the nuclear motion program TROVE~\citep{TROVE:2007}. The calculations utilize new high-level \textit{ab initio} potential energy and dipole moment surfaces. Along with the mass dependence, frequency data and Einstein A coefficients are computed for all transitions probed. Particular attention is paid to the $Δ|k|=3$ and $Δ|k-l|=3$ transitions comprising the accidentally coinciding $|J,K\!=\!0,v_2\!=\!0^+\rangle$ and $|J,K\!=\!3,v_2\!=\!0^-\rangle$ rotation-inversion energy levels. The newly computed probes exhibit sensitivities comparable to their ammonia and methanol counterparts, thus demonstrating their potential for testing the cosmological stability of the proton-to-electron mass ratio. The theoretical TROVE results are in close agreement with sensitivities obtained using the nonrigid and rigid inverter approximate models, confirming that the \textit{ab initio} theory used in the present study is adequate.
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