Shell effects on symmetric fragmentations of alkali-metal clusters

1991 ◽  
Vol 19 (1-4) ◽  
pp. 145-147 ◽  
Author(s):  
M. Nakamura ◽  
Y. Ishii ◽  
A. Tamura ◽  
S. Sugano
Keyword(s):  
Alkali Metal ◽  
Metal Clusters ◽  
Shell Effects ◽  
Alkali Metal Clusters

ON THE FISSION OF CHARGED ALKALI-METAL CLUSTERS

1996 ◽  
Vol 03 (01) ◽  
pp. 617-621 ◽  
Author(s):  
A. RIGO ◽  
F. GARCIAS ◽  
J.A. ALONSO ◽  
J.M. LÓPEZ ◽  
M. BARRANCO ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Alkali Metal ◽  
Barrier Height ◽  
Density Functional ◽  
Metal Clusters ◽  
Jellium Model ◽  
Functional Theory ◽  
Shell Effects ◽  
Large Size ◽  
Alkali Metal Clusters

A deformed jellium model is used to calculate the fission barrier height of [Formula: see text] within the Kohn-Sham density-functional theory (i.e., including shell effects). Although the shape of the barrier obviously depends on the parametrization of the fission path, we have found that the saddle point corresponds to a configuration in which the emerging fragments are already formed and rather well apart. From this result, we offer a simple way to calculate the barrier height for charged trimer emission from alkali-metal clusters of (almost) arbitrarily large size and charge state.

Shell effects on symmetric fragmentations of alkali-metal clusters

1990 ◽  
Vol 42 (4) ◽  
pp. 2267-2278 ◽  
Author(s):  
Masato Nakamura ◽  
Yasushi Ishii ◽  
Akira Tamura ◽  
Satoru Sugano
Keyword(s):  
Alkali Metal ◽  
Metal Clusters ◽  
Shell Effects ◽  
Alkali Metal Clusters

Control of wavepacket dynamics in mixed alkali metal clusters by optimally shaped fs pulses

2001 ◽  
Vol 16 (1) ◽  
pp. 127-131 ◽  
Author(s):  
A. Bartelt ◽  
S. Minemoto ◽  
C. Lupulescu ◽  
Š. Vajda ◽  
L. Wöste
Keyword(s):  
Alkali Metal ◽  
Metal Clusters ◽  
Mixed Alkali ◽  
Wavepacket Dynamics ◽  
Alkali Metal Clusters

The symmetric group and the method of diatomics in molecules: an application to small lithium clusters

1973 ◽  
Vol 333 (1592) ◽  
pp. 69-87 ◽  
Keyword(s):  
Alkali Metal ◽  
Symmetric Group ◽  
Metal Clusters ◽  
Basis Functions ◽  
Basis Set ◽  
Irreducible Representations ◽  
Secular Equations ◽  
Alkali Metal Clusters ◽  
Lithium Clusters

A new ‘most economical’ algorithm for the construction of diatomics in molecules secular equations is described. The method does not require the basis functions to be written down explicitly, since overlap may be factored out of the equations entirely. The theory is presented in detail for the particular case of homogeneous alkali metal clusters. A knowledge of the irreducible representations of the symmetric group for the Jahn-Serber basis set is necessary. The irreducible representations are derived by a genealogical procedure. Some preliminary calculations are presented for the molecules Li 3 through Li 6 , Li + 3 and Li + 4 . The lithium clusters are found to be stable with respect to all possible dissociations, and the i.ps of Li 3 and Li 4 are in agreement with the trends for the species Na 3 , Na 4 , K 3 , K 4 , etc., whose i.ps have been measured experimentally.

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