AB-INITIO CALCULATIONS OF EXCITED RARE-GAS ALKALI IONS

被引：2

作者：

MARKERT, S ^{[1
]}

SAHOO, N ^{[1
]}

DAS, TP ^{[1
]}

MANTEL, M ^{[1
]}

LANGHOFF, H ^{[1
]}

机构：

[1] UNIV WURZBURG,PHYS INST WURZBURG,D-97074 WURZBURG,GERMANY

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1994年 / 29卷 / 02期

关键词：

D O I：

10.1007/BF01437754

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The excimer-like ions formed by combining a rare gas ion with an alkali atom were investigated by an ab initio HF-CI calculation. The resulting four bound excited states 1SIGMA+, 1PI, 3SIGMA+ and 3PI were subjected to a semiempirical spin orbit (SO)-coupling yielding eight fine structure levels with angular momenta OMEGA = 2, 1(3) and 0(4). For (NeLi)+, (NeNa)+, (ArLi)+, (ArNa)+, (ArK)+ and (KrLi)+ the wavelengths for the five allowed transitions to the ground state were calculated. The results are in close agreement with the experimental results. Also other spectroscopic properties as binding energies, transition moments and vibrational quanta are given.

引用

页码：85 / 89

页数：5

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