论文标题
$ \ MATHCAL {P} $，$ \ MATHCAL {T} $ - 在激发振动状态下RaoH分子的奇怪效果
$\mathcal{P}$,$\mathcal{T}$-odd effects for RaOH molecule in the excited vibrational state
论文作者
论文摘要
triatomic分子raoH结合了激光冷却性和频谱的优势，并与近对外的双重双重脉冲相结合。这使其成为对$ \ Mathcal {p} $，$ \ MATHCAL {T} $ - 违规的实验研究的有前途的候选人。先前的研究集中于不同几何形状的计算，而无需平均反振动波函数，并强调了$ \ Mathcal {p} $，$ \ MATHCAL {T} $参数对键角的依赖性可能会显着改变观察到的值。我们使用源自绝热的哈密顿量的近耦合方程来获得RAOH在地面电子状态下的振动波函数，并获得激发振动状态。电势表面是基于两分量相对论CCSD（T）计算的构建，该计算采用了普遍的相对论有效核心电位（GRECP）的辐射原子的计算。计算了描述系统对电子电动偶极矩的敏感性和标量标准核子 - 电子相互作用的平均值$ e _ {\ rm eff} $和$ e_s $的平均值，并获得了$ l $ floupsing的值。
Triatomic molecule RaOH combines the advantages of laser-coolability and the spectrum with close opposite-parity doublets. This makes it a promising candidate for experimental study of the $\mathcal{P}$,$\mathcal{T}$-violation. Previous studies concentrated on the calculations for different geometries without the averaging over the rovibrational wave function and stressed the possibility that the dependence of the $\mathcal{P}$, $\mathcal{T}$ parameters on the bond angle may significantly alter the observed value. We obtain the rovibrational wave functions of RaOH in the ground electronic state and excited vibrational state using the close-coupled equations derived from the adiabatic Hamiltonian. The potential surface is constructed based on the two-component relativistic CCSD(T) computation employing the generalized relativistic effective core potential (GRECP) for the Radium atom. The averaged values of the parameters $E_{\rm eff}$ and $E_s$ describing the sensitivity of the system to the electron electric dipole moment and the scalar-pseudoscalar nucleon-electron interaction are calculated and the value of $l$-doubling is obtained.
