Abstract
A new approach to the solution of high dimension spectral problems, which is based on the use of the moment method (kernel polynomial method), is applied to study many-particle effects in a series of alkali fluorides. The electronic structure, absorption spectra, the features of the electronic charge distribution caused by the formation of bound electron-hole states and changes in these distributions in a series of fluorides due to distinctions in their electronic structure are analyzed.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 56, No. 4, pp. 649-655, July-August, 2015. Original article submitted July 14, 2014.
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Gordienko, A.B., Filippov, S.I. Calculation of characteristics of the absorbance of fluorides with regard to many-particle effects. J Struct Chem 56, 601–607 (2015). https://doi.org/10.1134/S0022476615040010
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DOI: https://doi.org/10.1134/S0022476615040010