Ab initio pseudopotential calculation of the photo-response of metal clusters

Pacheco, J.M.; Martins, Jose Luis
April 1997
Journal of Chemical Physics;4/8/1997, Vol. 106 Issue 14, p6039
Academic Journal
Studies the photoabsorption cross section of small sodium and lithium clusters using time-dependent local density approximation to density functional theory. Types of ab initio nonlocal pseudopotentials; Equilibrium geometries of the clusters obtained via Langevin quantum molecular dynamics; Average bond length of the clusters.


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