Advances in quantum chemistry Vol. 57, Theory of confined quantum systems. Pt. 1 / editors, John R. Sabin, Erkki Brändas and Salvador A. Cruz.
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...
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Full Text (via ScienceDirect) |
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| Other Authors: | , , |
| Other title: | Theory of confined quantum systems. Pt. 1. |
| Format: | eBook |
| Language: | English |
| Published: |
Amsterdam :
Academic Press,
2009.
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| Series: | Advances in quantum chemistry.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Advances in quantum chemistry |n Vol. 57, |p Theory of confined quantum systems. |n Pt. 1 / |c editors, John R. Sabin, Erkki Brändas and Salvador A. Cruz. |
| 246 | 3 | |a Theory of confined quantum systems. |n Pt. 1. | |
| 260 | |a Amsterdam : |b Academic Press, |c 2009. | ||
| 300 | |a 1 online resource (xii, 334 pages) : |b illustrations. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 490 | 1 | |a Advances in quantum chemistry, |x 0065-3276. | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a 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. | |
| 505 | 8 | |a 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 Schrödinger Equation for The Free Hydrogen Atom and its Ionization Limit. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a Chapter 8. Thomas -- Fermi -- Dirac -- Weizsäcker Density Functional Formalism Applied to the Study of Many-electron Atom Confinement by Open and Closed Boundaries. | |
| 520 | |a 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 articles, invited reviews and proceedings of major international conferences and workshops * Written by leading international researchers in quantum and theoretical chemistry * Highlights important interdisciplinary developments. | ||
| 546 | |a English. | ||
| 588 | 0 | |a Print version record. | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 7 | |a Quantum chemistry. |2 fast |0 (OCoLC)fst01085086. | |
| 700 | 1 | |a Sabin, John R. | |
| 700 | 1 | |a Brändas, Erkki. | |
| 700 | 1 | |a Cruz, Salvador A. | |
| 776 | 0 | |z 0123747643. | |
| 830 | 0 | |a Advances in quantum chemistry. | |
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