Abstract Submitted to the NANOTUBE-99 Workshop:

Augmented cylindrical wave method is developed and applied to 3d transition metal doped carbon nanotubes. Basis wave function are constructed by sewing the solutions of Schrodinger equation for empty cylinder with those for the spherically symmetrical muffin tin regions. The overlap integrals and matrix elements of Hamiltonian are calculated. The computer program for this method is written. The theoretical data on the band structure and total and partial densities of states of nanotubes are obtained and used to predict the optical properties and conductivity of these materials. This work was supported by Russian Basic Reseach Foundation (grant 97-03-33927)

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