High level ab initio calculations carried out for the 2A' and
2A'' states of ArNO(X 2
)
predict a crossing near the T-shape
configuration, with the 2A' minimum being slightly deeper.
Spin-orbit coupling is included through a model treatment and results in two
potential energy surfaces with similar topologies, nearly parallel to each
other and close to the averaged non-relativistic surface.
These results are used to construct a DIM-like model for ArnNO
clusters. The lowest energy cluster structures are found to
resemble those for Arn+1 with NO lying in the surface.
The set of major magic numbers (structures of pronounced stability) is also
the same as for the Arn+1 clusters, and is emphasized further
by the detachment of NO, which requires a larger energy than for
detachment of a single Ar atom. The relations of the difference between the
two dissociation energies and of the
ArnNO(1/2
3/2)
excitation energy to the magic numbers are discussed.