First-principles calculations in real-space formalism : electronic configurations and transport properties of nanostructures /
| Основен автор: | Hirose, Kikuji. |
|---|---|
| Формат: | Електронна книга |
| Език: | English |
| Публикувано: |
London :
Imperial College Press,
℗♭2005.
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| Предмети: | |
| Онлайн достъп: |
http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=148553 |
| Подобни документи: |
Print version::
First-principles calculations in real-space formalism. |
Съдържание:
- 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.