An improved potential energy curve for the ground state of NaK
An improved potential energy curve for the ground state of NaK
复制标题
NaK基态的改进势能曲线
DOI：
10.1088/0953-4075/33/14/312
复制
发表时间：
2000
期刊：
影响因子：
--
通讯作者：
P. Crozet
中科院分区：
文献类型：
--
作者：
I. Russier;A. Ross;M. Aubert;F. Martin;P. Crozet
本文提出了 NaK 分子基态的准确电势曲线。 A-X 系统的一系列解析激光诱导荧光光谱允许观察到最低 70 个振动能级（总井深的 99.9%）的旋转能级分布。一种变分方法将 Vidal 和 Scheingraber 的反摄动方法（Vidal C R 和 Scheingraber H 1977 J. Mol. Spectrosc. 65 46）与短核间距离的分析表达式相结合，用于构建一条势能曲线，该曲线以 0.003 cm-1 的均方根误差再现测量的基态能量。从此势能曲线得出的控制 Na(3s) + K(4s) 相互作用的解离能和库仑参数与最近的值进行了比较。
This paper presents an accurate potential curve for the ground state of the NaK molecule. A series of resolved laser-induced fluorescence spectra of the A-X system allowed a spread of rotational levels in the lowest 70 vibrational levels (99.9% of the total well depth) to be observed. A variational method combining the inverted perturbation approach of Vidal and Scheingraber (Vidal C R and Scheingraber H 1977 J. Mol. Spectrosc. 65 46) for short internuclear distances with an analytical expression for internuclear distances beyond 8.5 A has been used to construct a potential energy curve which reproduces the measured ground state energies with an rms error of 0.003 cm-1. The dissociation energy and coulombic parameters governing the Na(3s) + K(4s) interaction derived from this potential curve are compared with recent values.