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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Sabin, John R., Br�andas, Erkki, Cruz, Salvador A.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam : Academic Press, 2009.
Colección:Advances in quantum chemistry.
Temas:
Quantum chemistry.
Chimie quantique.
Acceso en línea:Texto completo

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 Br�andas 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. 
588 0 |a Print version record. 
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. 
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 Schr�odinger 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 -- Weizs�acker Density Functional Formalism Applied to the Study of Many-electron Atom Confinement by Open and Closed Boundaries 
546 |a English. 
650 0 |a Quantum chemistry. 
650 6 |a Chimie quantique.  |0 (CaQQLa)201-0045730 
650 7 |a Quantum chemistry.  |2 fast  |0 (OCoLC)fst01085086 
700 1 |a Sabin, John R. 
700 1 |a Br�andas, Erkki. 
700 1 |a Cruz, Salvador A. 
776 0 |z 0123747643 
830 0 |a Advances in quantum chemistry. 
856 4 0 |u https://sciencedirect.uam.elogim.com/science/book/9780123747648  |z Texto completo 

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