Quantum Chemical Interpretation of Absorption Spectra of Small Alkali Metal Clusters

1992 ◽  
pp. 36-58
Author(s):  
V. Bonačić-Koutecký ◽  
P. Fantucci ◽  
J. Koutecký
Keyword(s):  
Alkali Metal ◽  
Absorption Spectra ◽  
Quantum Chemical ◽  
Metal Clusters ◽  
Alkali Metal Clusters

Quantum molecular interpretation of absorption spectra of small alkali metal clusters

1991 ◽  
Vol 19 (4) ◽  
pp. 37-41 ◽  
Author(s):  
V. Bonačić-Koutecký ◽  
P. Fantucci ◽  
J. Gaus ◽  
J. Koutecký
Keyword(s):  
Alkali Metal ◽  
Absorption Spectra ◽  
Metal Clusters ◽  
Molecular Interpretation ◽  
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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