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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• Ciência dos materiais
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• Química
• Nanotecnologia
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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;inorganic nanotubes;Green's Function;spin-orbit coupling effects;Gold Nanotube;LACW technique;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