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...
Wedi'i Gadw mewn:
| Prif Awdur: | |
|---|---|
| Fformat: | Livre numérique |
| Iaith: | Anglais |
| Cyhoeddwyd: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Rhifyn: | 1st ed. 2009. |
| Mynediad Ar-lein: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nodyn: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Quantal density functional theory, II, approximation methods and applications, Virahnt Sahni, Heidelberg, Springer Verlag, 2010, 1 vol. (XVIII-426 p.), 978-3-540-92228-5 |
Tabl Cynhwysion:
- Schrödinger Theory from a Newtonian Perspective Quantal Density Functional Theory New Perspectives on Hohenberg Kohn 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 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 Vacuum Interface Many-Body and Pseudo Mùller-Plesset Perturbation Theory within Quantal Density Functional Theory Epilogue