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Advances in quantum chemistry Vol. 57, Theory of confined quantum systems. Pt. 1 /
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. * Publishes art...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam :
Academic Press,
2009.
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| Colección: | Advances in quantum chemistry.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Front cover; Half title page; Editorial board; Title page; Copyright page; Contents; Preface; Contributors; Chapter 1. Properties of Confined Hydrogen and Helium Atoms; 1. Introduction; 2. Some General Properties; 3. H in a Spherical Box; 4. H in Confining Oscillator Potential; 5. Off-centre Confinement; 6. Summary; References; Chapter 2. Exact Relations for Confined One-Electron Systems; 1. Introduction: Some Notes on History; 2. Some General Constructions and Notations; 3. Commutation Relations and Hypervirial Theorems; 4. Energy and Region Modifications
- 5. The System in an External Potential6. On Mean Values and Other Properties of Confined Systems; 7. Spherically Confined Isotropic Harmonic Oscillator; 8. Information Theoretical Uncertainty-like Relationships; 9. Afterword; Acknowledgments; References; Chapter 3. The Hydrogen Atom Confined in Semi-infinite Spaces Limited by Conoidal Boundaries; 1. Introduction; 2. Sample of Comments on Articles About Confined Atoms and Molecules; 3. Review of The Superintegrability of The Schr�odinger Equation for The Free Hydrogen Atom and its Ionization Limit
- 4. Overview of the Confinement of the Hydrogen Atom by a Conoidal Boundary as a Symmetry-Breaking Effect5. Preview of Problems on Confined Atoms and Molecules of Current and Future Investigations; 6. Discussion; Acknowledgements; References; Chapter 4. The Hydrogen and Helium Atoms Confined in Spherical Boxes; 1. Introduction; 2. Methods used in Various Studies of the Confined Hydrogen Atom; 3. Soft Spherical Confinement for Hydrogen Atom Revisited; 4. Treatment of the Confined Hydrogen Atom Under Neumann Boundary Conditions; 5. The Helium Atom Confined in Spherical Boxes; 6. Other Approaches
- 7. ConclusionsAcknowledgments; References; Chapter 5. Exact Solutions for Confined Model Systems Using Kummer Functions; 1. Introduction; 2. Solutions of Kummer's Equation; 3. K -dimensional Systems; 4. Confined Hydrogen Atom in 3-d and 2-d; 5. Two-dimensional Harmonic Oscillator; 6. The Constant Potential; 7. Summary; Acknowledgements; Appendix; References; Chapter 6. Perturbation Theory for a Hydrogen-like Atom Confined Within an Impenetrable Spherical Cavity; 1. Introduction; 2. Asymptotic Expansions for Large Box Radii; 3. Expansions for Small Box Radii
- 4. Variational and Numerical Solutions5. Perturbation Theory Results for Small Box Radii; 6. Intermediate Box Sizes; 7. Concluding Remarks; References; Chapter 7. Comparative Study Between the Hartree-Fock and Kohn-Sham Models for the Lowest Singlet and Triplet States of the Confined Helium Atom; 1. Introduction; 2. Hartree-Fock and Kohn-Sham Models for Two-electron Systems; 3. Methodology; 4. Results and Discussion; 5. Conclusions; Acknowledgments; References
- Chapter 8. Thomas
- Fermi
- Dirac
- Weizs�acker Density Functional Formalism Applied to the Study of Many-electron Atom Confinement by Open and Closed Boundaries