Comparison between experimentally and theoretically determined potential curves of the Ar2 lowest states

Accurate potential curves have been determined for the (3p54s)Ar*+(1S0) Ar excimer, with extended basis sets, large CI and the Cohen–Schneider spin–orbit coupling scheme. Using the synchrotron radiation, measurements of the quantitative absorption temperature dependence of the wings of the 3P1 and 1...

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Veröffentlicht in:The Journal of chemical physics 1981-11, Vol.75 (10), p.5006-5018
Hauptverfasser: Castex, M. C., Morlais, M., Spiegelmann, F., Malrieu, J. P.
Format: Artikel
Sprache:eng
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Zusammenfassung:Accurate potential curves have been determined for the (3p54s)Ar*+(1S0) Ar excimer, with extended basis sets, large CI and the Cohen–Schneider spin–orbit coupling scheme. Using the synchrotron radiation, measurements of the quantitative absorption temperature dependence of the wings of the 3P1 and 1P1 lines have been made and parts of the potential curves have been derived through the quasistatic treatment. The theoretical work shows that the complex and detailed shapes of the curves result from the action of various physical phenomena (electronic correlation, van der Waals dispersion forces, R−3 resonance interaction, and spin–orbit coupling); however a sufficiently accurate calculation and analysis allows a state by state comparison with absorption and emission experimental results and an attempt to gather and clarify the present knowledge.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.441890