Quantum Chemistry of Nanotubes

TABLE OF CONTENTS



Augmented Cylindrical Waves for Nonchiral Nanotubes and Wires



Geometry of Carbon Nanotubes



Theory



Applications



Augmented Cylindrical Waves for Embedded and Double-Walled Nanotubes



Embedded Nanotubes



Double-Wall Carbon Nanotubes



Symmetrized Augmented Cylindrical Waves for Chiral Nanotubes



Theory



Application



Augmented Cylindrical Wave Green's Function Technique for Impurities



Defects in nanotubes



Theory



Applications



Relativistic Augmented Cylindrical Wave Method



Spin-Orbit Interaction in Nanotubes



Theory



Applications



Appendix. Darwin and Mass-Velocity Corrections



References cited

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Electron DOS;Ab Initio Pseudopotential Method;inorganic nanomaterials;Calculated Energy Band Structures;cylindrical geometry;Band Structure;screw symmetry;Dispersion Curves;electron properties;Local DOS;band structure, point defects, spin-orbit coupling;Fermi Level;Green's function technique;Total DOS;muffin-tin approximation;Double Walled Nanotubes;local density functional theory;Single Walled Nanotubes;Green's functions;Spin Orbit Interaction;spin-orbit coupling effects;Green's Function;LACW technique;Gold Nanotube;inorganic nanotubes;Spin Orbit Coupling;Partial Dos;Spin Orbit Splitting;Nitrogen Impurities;Van Der Waals Type Interaction;Single Walled Tubule;Double Walled System;Multiwalled Nanotubes;Double Walled Carbon Nanotubes;Cylindrical Wave;Intertube Interaction;Nanotubes