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Data for: The branching ratio of intercombination $A^1\Sigma^+\sim b^3\Pi\to a^3\Sigma^+/X^1\Sigma^+$ transitions in the RbCs molecule: measurements and calculations

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Mendeley Data2026-04-18 收录
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资源简介:
The spin-allowed A1Sigma+-X1Sigma+ and b3Pi-a3Sigma+ TDM functions of the RbCs molecule obtained by the scalar-relativistic CI-CPP calculations. The fully relativistic (2,3)0+ - (1)0+ curves are the original TDM functions obtained using FSRCC-FF method in the framework of the conventional adiabatic representation. And their quasi-diabatic A0+ - X0+, b0+ - a1, b1 - a0- TDM functions derived from the relativistic FSRCC-FF data.

本数据集包含通过标量相对论组态相互作用-核极化势(CI-CPP)计算得到的RbCs分子的自旋允许A¹Σ⁺-X¹Σ⁺与b³Π-a³Σ⁺跃迁偶极矩(Transition Dipole Moment,TDM)函数。其中,(2,3)0+ - (1)0+ 全相对论曲线为在传统绝热表象框架下,采用四分量相对论耦合簇-有限场(FSRCC-FF)方法得到的原始跃迁偶极矩函数;基于该相对论FSRCC-FF数据推导得到的A0+-X0+、b0+-a1、b1-a0- 准 diabatic 跃迁偶极矩函数亦纳入本数据集。
创建时间:
2020-09-07
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