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

2010 year, number 1

A METHOD TO CALCULATE THE ENERGY LEVELS OF NANOOBJECTS WITH A PERIODIC FRAMEWORK STRUCTURE

L. A. Gribov
Keywords: nanoobjects, energy levels, periodic structure, quasi-diagonalization
Pages: 131-136

Abstract

A method to calculate electronic and vibrational energy levels in nanoobjects with a periodic internal structure is proposed. The approach allows us to reduce the general problem to a set of order problems corresponding to the repeating atomic arrangement. Further refinement is performed using perturbation theory.