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Electronic excitations and optical spectra of Pt 2 and Pt 4 on Cu(001) modeled by a cluster
Author(s) -
Pal George,
Lefkidis Georgios,
Hübner Wolfgang
Publication year - 2010
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200945462
Subject(s) - cluster (spacecraft) , spectral line , optical spectra , polarization (electrochemistry) , atomic physics , symmetry (geometry) , laser , electron , chemistry , physics , molecular physics , optics , quantum mechanics , mathematics , geometry , computer science , programming language
Abstract The photoabsorption spectra of Pt 2 and Pt 4 clusters on the Cu(001) surface are computed using two different theoretical methods: the symmetry‐adapted cluster expansion configuration interaction from quantum chemistry and a recently developed linear response approach to treat electron–hole correlations in the presence of an external electromagnetic field. Comparing the energetically low‐lying optical excitations, we find very good agreement between the two methods. For different orientations of the adsorbed clusters with respect to the surface, we find that the most intense optical peaks occur when the polarization of the applied laser pulse is parallel to the surface.