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首页> 外文期刊>The Journal of Chemical Physics >Long-range potential energy curves for the X~1#SIGMA#~+ and a~3 #SIGMA#~+ states of NaRb
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Long-range potential energy curves for the X~1#SIGMA#~+ and a~3 #SIGMA#~+ states of NaRb

机译：NaRb的X〜1＃SIGMA＃〜+和a〜3＃SIGMA＃〜+状态的远距离势能曲线

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摘要

This article critically examines spectroscopic data for the two lowest states (X~1 #DELTA#~+ and a~3 #DELTA#~+) for NaRb, which dissociate to ground state Na and Rb atoms. A more precise triplet state RKR potential curve is reported. A complete hybrid potential for the triplet state is determined, based on the improved RKR curve plus Coulombic and exchange contributions at long range. A new, more precise dissociation energy for the a ~3 #DELTA#~+ state is determined: D_e = 183.0 ± 0.10 cm1. Previously unpublished and improved Dunham coefficients for the singlet state are reported, which cover the bottom 57% of the well. A complete hybrid potential energy curve for the singlet state is determined, based on the RKR curve plus Coulombic and exchange contributions at long range. The X~1 #DELTA#~+ state potential curve now covers 100% of the well and a new, precise dissociation energy is determined: D_e =5030.75+0.10cm~(-1). Three additional unobserved energy levels are predicted forthe a~3#DELTA#~+state of ~(23)Na~(85)Rb, all within 1.1 cm~(-1) of the dissociation limit.
机译：本文严格检查了NaRb的两个最低状态（X〜1 #DEL ## +和a〜3＃DELTA＃〜+）的光谱数据，这些状态解离了基态Na和Rb原子。报告了更精确的三重态RKR电位曲线。基于改进的RKR曲线加上库仑和长距离交换贡献，可以确定三重态的完全杂合势。确定了〜3＃DELTA＃〜+状态的新的更精确的离解能：D_e = 183.0±0.10 cm1。据报道，单峰状态以前尚未发表和改进的邓纳姆系数，覆盖了井底的57％。基于RKR曲线加上库仑和远距离交换贡献，确定了单重态的完整混合势能曲线。现在，X〜1＃DELTA＃〜+状态电势曲线覆盖了阱的100％，并确定了新的精确解离能：D_e = 5030.75 + 0.10cm〜（-1）。对〜（23）Na〜（85）Rb的α〜3＃DELTA＃〜+态预测了另外三个未观察到的能级，均在解离极限的1.1 cm〜（-1）内。

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