Quantum Chemistry of Nanotubes

Quantum Chemistry of Nanotubes

Author: Pavel N. D'yachkov
Publisher: CRC Press
Edition: 1
Published date: 2019
ISBN: 9781138598874

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This book gives a detailed and up-to-date overview of the linearized augmented cylindrical wave (LACW) technique for nanotubes and nanowires. The author presents the mathematical foundations together with numerous applications. Method for calculating the electronic structure of point impurities, which is based on a combination of the LACW and Green’s functions techniques, is presented. The book clearly demonstrates how the relativistic effects can be incorporated into LACW approach and how the spin-orbit coupling effects change the tubules band structure. Extensive illustrations of application to the inorganic nanotubes and nanowires make the book essential reading in this field above all.

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