A pseudopotential model is suggested for the calculation of the matrix perturbation on the spectra of isolated atoms. The calculated shifts of the ground state and of the excited state have different signs. The energy of the outer electron of the isolated atom is lowered in the substitutional site. A blue shift for the PS absorption lines of the right magnitude is calculated for Cu, Ag, and Au atoms on substitutional sites in Ar, Kr, and Xe matrices.
The influence of rare gas matrix on the electronic levels of isolated atoms / Forstmann, F.; Ossicini, Stefano. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 73:(1980), pp. 5997-6002.
The influence of rare gas matrix on the electronic levels of isolated atoms
OSSICINI, Stefano
1980
Abstract
A pseudopotential model is suggested for the calculation of the matrix perturbation on the spectra of isolated atoms. The calculated shifts of the ground state and of the excited state have different signs. The energy of the outer electron of the isolated atom is lowered in the substitutional site. A blue shift for the PS absorption lines of the right magnitude is calculated for Cu, Ag, and Au atoms on substitutional sites in Ar, Kr, and Xe matrices.
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