1995
DOI: 10.1063/1.468840
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Monte Carlo study of the optical properties of the KXeN polyatomic exciplexes

Abstract: The geometrical structures and optical properties of the K͑5S͒Xe N polyatomic exciplexes are studied by using the Metropolis Monte Carlo method. The many-body potentials between an electronically excited potassium atom and xenon atoms are calculated by using the improved Baylis potential model, in which the Hamiltonian is diagonalized at every Monte Carlo step. At low temperature, the exciplex has a closed structure at the number of xenons Nϭ8. The shifts and the linewidths of the transition energy of the calc… Show more

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Cited by 11 publications
(4 citation statements)
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“…Indeed, whenever the electronic excitation is increased, the excited electron becomes more diffuse, and interplay is expected to occur between the cluster size and the size of the excited electron orbital. In particular, for a sufficiently high excitation energy, one expects the occurrence of cluster states with Rydberg character corresponding to the picture of an excited electron surrounding an ionic cluster core, as shown in the works of Fujisaki [18,19] for K (5s)Xe n clusters. The convergence of Rydberg series towards the parent ions is well known in atoms, diatomics, and small molecules [1,20].…”
Section: Introductionmentioning
confidence: 95%
“…Indeed, whenever the electronic excitation is increased, the excited electron becomes more diffuse, and interplay is expected to occur between the cluster size and the size of the excited electron orbital. In particular, for a sufficiently high excitation energy, one expects the occurrence of cluster states with Rydberg character corresponding to the picture of an excited electron surrounding an ionic cluster core, as shown in the works of Fujisaki [18,19] for K (5s)Xe n clusters. The convergence of Rydberg series towards the parent ions is well known in atoms, diatomics, and small molecules [1,20].…”
Section: Introductionmentioning
confidence: 95%
“…35,37 However, because dynamical properties often arise due to specific geometric arrangements it is essential to determine and understand the stable structures adopted by those clusters. Ab initio calculations [27][28][29][30][31][32][33] and empirical potentials 13,[19][20][21][22][23][24][25][26] have provided a lot of insight into measured magic numbers by highlighting the dominant contributions to bonding and connecting those contributions to geometric features such as high-symmetry shell completion. Relevant examples for cationic clusters such as Na + Ar n , 20,27 K + Ar n , 21 and Cs + Xe n 21,22 have notably emphasized the importance of the size mismatch between the alkaline ion and the rare-gas atom on the shell occupancy.…”
Section: Introductionmentioning
confidence: 99%
“…They found that the alkali atoms are on the surface of the clusters. Akihiro Fujisakia [19] have studied the geometrical structures and optical properties of the K(5 s)Xe n polyatomic exciplexes using the Metropolis Monte Carlo method. More recently, we have studied the structure of NaKr n neutral clusters (n = 1-25) [20].…”
Section: Introductionmentioning
confidence: 99%