氘分子三重电子态的转动振动能级
Rovibronic energy levels for triplet electronic states of molecular deuterium
摘要：
通过对不同作者在发射、吸收、激光和抗交叉光谱实验中所研究的三重态-三重态振子跃迁的全部波数的统计分析，得到了$D_2$的35个三重态振子能级的最佳值。我们使用了一种新的分析方法（Lavrov，Ryazanov，JETP Letters，2005），它不需要任何关于分子结构的\it先验\rm假设，仅基于两个基本原则：极大似然和Rydberg-Ritz。该方法提供了一个机会，以获得独立的原始文件中提出的实验波数的不确定性的估计。从3822个公布的波数值中发现234个是假的，而剩余的数据集可以被分成19个子集，这些子集内的随机误差具有接近正态分布的均匀精确的数据。在本工作中测量了125条可疑谱线的新波数值（第20子集）。从由3713个波数值（3588个旧波数和125个新波数）组成的实验数据组中获得了旋振能级的最佳值。通过对具有奇数和偶数N值的$a^3Σ_g^+$、$v = 0$、$N = 0 ÷18$旋振能级的最小二乘分析，发现了邻氘和仲氘能级之间的未知位移。所有的能级都是相对于$a^3Σ_g^+$电子态的最低振动-转动能级（$v = 0$，N=0）获得的，并以表格形式与半经验测定的标准偏差（SD）一起呈现。新的能级值与文献中的值有很大不同。
英文摘要：
An optimal set of 1050 rovibronic energy levels for 35 triplet electronic states of $D_2$ has been obtained by means of a statistical analysis of all available wavenumbers of triplet-triplet rovibronic transitions studied in emission, absorption, laser and anticrossing spectroscopic experiments of various authors. We used a new method of the analysis (Lavrov, Ryazanov, JETP Letters, 2005), which does not need any \it a priori \rm assumptions concerning the molecular structure being based on only two fundamental principles: maximum likelihood and Rydberg-Ritz. The method provides the opportunity to obtain the estimation of uncertainties of experimental wavenumbers independent from those presented in the original papers. 234 from 3822 published wavenumber values were found to be spurious, while the remaining set of the data may be divided into 19 subsets of uniformly precise data having close to normal distributions of random errors within the subsets. New wavenumber values of 125 questionable lines were measured in the present work (20-th subset). Optimal values of the rovibronic levels were obtained from the experimental data set consisting of 3713 wavenumber values (3588 old and 125 new). The unknown shift between levels of ortho- and para- deuterium was found by least squares analysis of the $a^3Σ_g^+$, $v = 0$, $N = 0 ÷18$ rovibronic levels with odd and even values of N. All the energy levels were obtained relative to the lowest vibro-rotational level ($v = 0$, N=0) of the $a^3Σ_g^+$ electronic state and presented in tabular form together with standard deviations (SD) of the semi-empirical determination. New energy level values differ significantly from those available in literature.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
