Properties and long range interactions of the calcium atom

The properties of a number of states of calcium are determined from a large basis configuration interaction calculation. The main focus is on the polarizabilities of the low lying states (the 4 s 2 S e 1 , 4 s 3 d D e 1 , 3 , 4 s 4 p P o 1 , 3 , and 4 s 5 s S e 1 , 3 states) and the dispersion inter...

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Veröffentlicht in:The Journal of chemical physics 2008-04, Vol.128 (13), p.134305-134305-11
Hauptverfasser: Mitroy, J., Zhang, J.-Y.
Format: Artikel
Sprache:eng
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Zusammenfassung:The properties of a number of states of calcium are determined from a large basis configuration interaction calculation. The main focus is on the polarizabilities of the low lying states (the 4 s 2 S e 1 , 4 s 3 d D e 1 , 3 , 4 s 4 p P o 1 , 3 , and 4 s 5 s S e 1 , 3 states) and the dispersion interactions of those states with the calcium ground state, the hydrogen atom, and the rare gases.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2841470