Cargando…
Quantal Density Functional Theory II Approximation Methods and Applications /
This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclu...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2009.
|
| Edición: | 1st ed. 2009. |
| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- Schr#x00F6;dinger Theory from a #x201C;Newtonian#x201D; Perspective
- Quantal Density Functional Theory
- New Perspectives on Hohenberg#x2013;Kohn#x2013;Sham Density Functional Theory
- Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theory
- Approximations Within Quantal Density Functional Theory
- Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms
- Analytical Asymptotic Structure At and Near the Nucleus of Atoms
- Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms
- Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions
- Quantal Density Functional Theory of the Density Amplitude: Application to Atoms
- Application of the Irrotational Component Approximation to Nonspherical Density Atoms
- Application of Q-DFT to Atoms in Excited States
- Application of the Multi-Component Q-DFT Pauli Approximation to the Anion#x2013;Positron Complex: Energies, Positron and Positronium Affinities
- Application of the Q-DFT Fully Correlated Approximation to the Helium Atom
- Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule
- Application of Q-DFT to the Metal#x2013;Vacuum Interface
- Many-Body and Pseudo M#x00F8;ller-Plesset Perturbation Theory within Quantal Density Functional Theory
- Epilogue.