Publishing House SB RAS:

Publishing House SB RAS:

Address of the Publishing House SB RAS:
Morskoy pr. 2, 630090 Novosibirsk, Russia



Advanced Search

Journal of Structural Chemistry

2015 year, number 4

CALCULATION OF CHARACTERISTICS OF THE ABSORBANCE OF FLUORIDES WITH REGARD TO MANY-PARTICLE EFFECTS

A. B. Gordienko, S. I. Filippov
Kemerovo State University, Kemerovo, Russia
Keywords: экситоны, фториды, химическая связь, электрон-дырочное взаимодействие, оптика, поглощение, метод моментов, KPM, excitons, fluorides, chemical bond, electron-hole interaction, optics, absorption, moment method, KPM

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.