Ab-initio calculations of excited rare gas alkali ions

S. Markert; N. Sahoo; T. P. Das; M. Mantel; H. Langhoff

doi:10.1007/BF01437754

Ab-initio calculations of excited rare gas alkali ions

S. Markert, N. Sahoo, T. P. Das, M. Mantel, H. Langhoff

Research output: Contribution to journal › Article › peer-review

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Abstract

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 states¹Σ⁺,¹Π,³Σ⁺ and³Π were subjected to a semiempirical spin orbit (SO)-coupling yielding eight fine structure levels with angular momenta Ω=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.

Original language	English (US)
Pages (from-to)	85-89
Number of pages	5
Journal	Zeitschrift für Physik D Atoms, Molecules and Clusters
Volume	29
Issue number	2
DOIs	https://doi.org/10.1007/BF01437754
State	Published - Jun 1994
Externally published	Yes

Keywords

31.20.Ej

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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10.1007/BF01437754

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title = "Ab-initio calculations of excited rare gas alkali ions",

abstract = "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 states1Σ+,1Π,3Σ+ and3Π were subjected to a semiempirical spin orbit (SO)-coupling yielding eight fine structure levels with angular momenta Ω=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.",

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year = "1994",

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TY - JOUR

T1 - Ab-initio calculations of excited rare gas alkali ions

AU - Markert, S.

AU - Sahoo, N.

AU - Das, T. P.

AU - Mantel, M.

AU - Langhoff, H.

PY - 1994/6

Y1 - 1994/6

N2 - 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 states1Σ+,1Π,3Σ+ and3Π were subjected to a semiempirical spin orbit (SO)-coupling yielding eight fine structure levels with angular momenta Ω=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.

AB - 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 states1Σ+,1Π,3Σ+ and3Π were subjected to a semiempirical spin orbit (SO)-coupling yielding eight fine structure levels with angular momenta Ω=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.

KW - 31.20.Ej

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JF - Zeitschrift für Physik D Atoms, Molecules and Clusters

IS - 2

ER -

Ab-initio calculations of excited rare gas alkali ions

Abstract

Keywords

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