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Electronic excited-state mixing in
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10.1063/1.2120507
/content/aip/journal/jcp/123/16/10.1063/1.2120507
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/16/10.1063/1.2120507
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The potential curves for three electronic states of calculated for a geometry with a Ne to center-of-mass separation of . In this case the state and the state hardly interact even for a rather short distance.

Image of FIG. 2.
FIG. 2.

The potential curves for five electronic states of for a linear geometry with a center-of-mass separation of . In contrast to the behavior of the geometry shown in Fig. 1, there is extensive mixing between the electronic states of in the linear, Ne–Cl–Cl geometry.

Image of FIG. 3.
FIG. 3.

(a) shows potential curves for a Ne to center-of-mass separation of and for a geometry bent 10° away from the T-shaped geometry of Fig. 1. For this geometry the mixing between the state and the state is still quite weak. In contrast, (b) shows that reducing the separation to results in an easily observable avoided crossing between the and states.

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/content/aip/journal/jcp/123/16/10.1063/1.2120507
2005-10-24
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electronic excited-state mixing in NeCl2
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/16/10.1063/1.2120507
10.1063/1.2120507
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