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First-principles calculations in real-space formalism : electronic configurations and transport properties of nanostructures /
With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties...
| Call Number: | Libro Electrónico |
|---|---|
| Main Author: | |
| Format: | Electronic eBook |
| Language: | Inglés |
| Published: |
London :
Imperial College Press,
©2005.
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| Subjects: | |
| Online Access: | Texto completo |
Table of Contents:
- Foundations of methodology
- Solvers of the Poisson equation and related techniques
- Minimization procedures of the energy functional
- Timesaving double-grid technique
- Implementation for systems under various boundary conditions
- Basic scheme of the overbridging boundary-matching method
- Inclusion of norm-conserving pseudopotentials
- Jellium electrode approximation
- Green's function formalism and the overbridging boundary-matching scheme
- Calculation method based on the Lippmann-Schwinger equation.