摘要
利用ＳＣＣ－ＤＶ－Ｘα方法计算了Ｈｇ２、Ｈｇ２＋２、Ｈｇ３、Ｈｇ４＋３原子簇的电子结构和光谱，分析了体系的稳定性和影响分子轨道的因素及可能的光谱跃迁波长，所得结果与所报道的实验结果作了比较。
The electronic structures and spectra of Hg 2, Hg 3, Hg 2+ 2 and Hg 4+ 3 clusters are calculated using SCC-DV-X α method and we analyses the stabilities of clusters, and discuss the influence of the elements on melecular orbital, and study the optical wavelengths of the probable optical emission. Thew we compare the calculated results with the experimental results. [WTHZ〗
出处
《原子与分子物理学报》
CSCD
北大核心
1997年第4期650-656,共7页
Journal of Atomic and Molecular Physics
关键词
轨道能
光谱
电子结构
汞
原子簇
Orbital energies Spectrnm Electromic Structures Stability
