Relativistic Quantum Theory of Atoms and Molecules : Theory and Computation
This book presents a unified approach to modern relativistic theory of the electronic structure of atoms and molecules which will provide experimental and theoretical scientists and graduate students with a range of powerful computational tools for a growing range of physical, chemical, technologica...
Gardado en:
| Autor Principal: | |
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| Formato: | Livre numérique |
| Idioma: | Anglais |
| Publicado: |
New York, NY :
Springer New York
[20..].
Cham : Springer Nature |
| Edición: | 1st ed. 2007. |
| Series: | Springer Series on Atomic, Optical, and Plasma Physics
40 |
| Acceso en liña: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nota: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Relativistic quantum theory of atoms and molecules, theory and computation, I. P. Grant, New York, Springer, 2007, 1 vol. (XXIII-797 p.), Springer series on atomic, optical, and plasma physics, 978-0-387-34671-7 • Relativistic quantum theory of atoms and molecules, theory and computation, I. P. Grant, New York, Springer, 2007, 1 vol. (XXIII-797 p.), Springer series on atomic, optical, and plasma physics, 978-1-4419-2240-3 • Bioprocesses and engineering, with contributions by N. Hardman ... [et al.], 1989, Berlin ; New York, Springer-Verlag, 1 vol. (180 p.), Advances in biochemical engineering/biotechnology, 3-540-51446-5 • Relativistic quantum theory of atoms and molecules, theory and computation, I. P. Grant, New York, Springer, 2007, 1 vol. (XXIII-797 p.), Springer series on atomic, optical, and plasma physics, 978-0-387-34671-7 • Relativistic Quantum Theory of Atoms and Molecules, Texte imprimé, 9781071601105 • Relativistic quantum theory of atoms and molecules, theory and computation, I. P. Grant, New York, Springer, 2007, 1 vol. (XXIII-797 p.), Springer series on atomic, optical, and plasma physics, 978-1-4419-2240-3 • Bioprocesses and engineering, with contributions by N. Hardman ... [et al.], 1989, Berlin ; New York, Springer-Verlag, 1 vol. (180 p.), Advances in biochemical engineering/biotechnology, 3-540-51446-5 • Relativistic quantum theory of atoms and molecules, theory and computation, I. P. Grant, New York, Springer, 2007, 1 vol. (XXIII-797 p.), Springer series on atomic, optical, and plasma physics, 978-0-387-34671-7 • Relativistic Quantum Theory of Atoms and Molecules, Texte imprimé, 9781071601105 |
| Résumé: | This book presents a unified approach to modern relativistic theory of the electronic structure of atoms and molecules which will provide experimental and theoretical scientists and graduate students with a range of powerful computational tools for a growing range of physical, chemical, technological and biochemical applications. Starting from its foundations in quantum electrodynamics, the book contains a careful account of relativistic atomic and molecular structure based on Dirac's relativistic Hamiltonian, and the numerical algorithms implemented by modern computer programs. The relativistic atomic structure code GRASP, which can compute atomic energy levels, radiative transition rates and other atomic properties using the multiconfigurational Dirac-Hartree-Fock or relativistic configuration interaction methods, is reviewed along with the relativistic R-matrix code DARC, which is used for the high precision modelling of the interactions of atoms and ions with photons and electrons. The recently developed BERTHA relativistic molecular structure code, the first to exploit fully the symmetry properties of Dirac 4-component spinors, provides a new resource for studying the properties of molecules, atomic clusters and other materials, especially those containing heavy elements for which a relativistic model is essential |
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| descrición da copia: | Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| ISBN: | 9780387350691 |
| ISSN: | 2197-6791 |
| Acceso: | Accès en ligne pour les établissements français bénéficiaires des licences nationales Accès soumis à abonnement pour tout autre établissement Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 |