ISSN:
1434-6079
Keywords:
31.20.D
;
31.30
;
36.40
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract This paper reports results obtained in the study of small alkali metal clusters (2≤n≤34). Properties of interest include static descriptions of the Potential Energy Surfaces (PES) using a Distance-Dependent Tight Binding hamiltonian (DDTB) and new results obtained with the same hamiltonian through a Monte-Carlo Growth Method (MCGM) which is shown to give an efficient way to sample the PES, but may also be helpful to estimate the statistical occurrences of the various isomers (catching areas). The probability for generating a given configuration is proportional to a Boltzmann distribution factor and hence a temperature dependence is introduced in the study of the PES. In section 2, the temperature dependence of the optical response for small clusters (on the example of Na4) is simulated throughab initio calculations of the electronic structure coupled with Monte-Carlo dynamics on the absorbing system in the ground state.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01429154
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