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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - nouveau livre

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Quantum Systems in Chemistry and Physics contains a refereed selection of the papers presented at the first European Workshop on this subject, held at San Miniato, near Pisa, Italy, in … Plus…

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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - R. McWeeny; Jean Maruani; Y.G. Smeyers; S. Wilson
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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - nouveau livre

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Quantum Systems in Chemistry and Physics contains a refereed selection of the papers presented at the first European Workshop on this subject, held at San Miniato, near Pisa, Italy, in Ap… Plus…

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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - R. McWeeny; Jean Maruani; Y.G. Smeyers; S. Wilson
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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - nouveau livre

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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - nouveau livre

2012, ISBN: 9789401148948

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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications
Auteur:
Titre:
ISBN:

9789401148948

Informations détaillées sur le livre - Quantum Systems in Chemistry and Physics. Trends in Methods and Applications


EAN (ISBN-13): 9789401148948
Date de parution: 2012
Editeur: Springer Netherlands

Livre dans la base de données depuis 2016-04-26T16:47:27+02:00 (Paris)
Page de détail modifiée en dernier sur 2022-12-10T12:52:33+01:00 (Paris)
ISBN/EAN: 9789401148948

ISBN - Autres types d'écriture:
978-94-011-4894-8
Autres types d'écriture et termes associés:
Auteur du livre: jean wilson
Titre du livre: quantum chemistry

Données de l'éditeur

Auteur: R. McWeeny; Jean Maruani; Y.G. Smeyers; S. Wilson
Titre: Topics in Molecular Organization and Engineering; Quantum Systems in Chemistry and Physics. Trends in Methods and Applications
Editeur: Springer; Springer Netherland
399 Pages
Date de parution: 2012-12-06
Dordrecht; NL
Langue: Anglais
149,79 € (DE)
154,00 € (AT)
177,00 CHF (CH)
Available
VIII, 399 p.

EA; E107; eBook; Nonbooks, PBS / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; adsorption; chemical reaction; chemical structure; chemistry; condensed matter; electron; hydrogen; scattering; spectroscopy; structure; theoretical chemistry; C; Physical Chemistry; Condensed Matter Physics; Physical Chemistry; Condensed Matter Physics; Chemistry and Materials Science; Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik); BB

Preface. Introduction: The European Workshop `Quantum Systems in Chemistry and Physics; R. McWeeny. I: Trends in Methods. 1. Separability in Quantum Mechanics; R. McWeeny. 2. Optimized Effective Potential for Atoms and Molecules; T. Grabo, et al. 3. The Relativistic Quantum Defect Orbital Method and Some of Its Applications; I. Martin. 4. A New Approach for Valence-bond Calculations: CASVB; T. Thorsteinsson, et al. 5. Studies on Chemical Structure, Spectroscopy and Electron Scattering Using Generalized Multistructural Wavefunctions; M.A.C. Nascimento. II: Trends in Applications. 6. The Characteristic (Crossover) Temperature in the Theory of Thermally Activated Tunneling Processes; S.G. Christov. 7. An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems; L. Mihailov, et al. 8. Correlation Effects in the Double Proton Transfer of the Formic Acid Dimer; H. Chojnacki. 9. Effect of the Vibrational/Rotational Energy Partitioning on the Energy Transfer in Atom-Triatomic Molecule Collisions; I. Rosenblum, et al. 10. Fragmentation of Ar3+: The Role of Rotational and Vibrational Predissociation Dynamics; E. Buonomo, F.A. Gianturco. 11. Sampling the Initial Conditions for Quasi-Classical Trajectory Studies of Vibrational Predissociation Dynamics; G. Delgado-Barrio, et al. 12. Energy Estimates for Local Chemical Processes in Condensed Matter; C. Pisani. S. Casassa. 13. Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases; A. Markovits, et al. 14. Optical Spectra of High- Temperature Superconductors; M. Georgiev, L. Mihailov. III: Additional Contributions. 15. Multireference Brillouin-Wigner Coupled-Cluster Theory: Hilbert Space Approach; J. Masik, I. Hubac. 16. Core-Valence Separation for an Open-Shell Atom in the LST-DFT Scheme; L.S. Georgiev, et al. 17. On the Accuracy of the Algebraic Approximation in Molecular Electronic Structure Studies: Matrix Valence-Bond Calculations for the Hydrogen Molecular Ground State; D. Moncrieff, S. Wilson. 18. On the Evaluation of the Matrix Elements Between Non-Orthogonal Slater Determinants; C. Amovilli. 19. The Calculation of Some Processes Involving Transitions in the Continuum; R. Moccia, et al. 20. Revisiting the Off-Center Impurity Problem: Reorientational Rates of Hindered Rotators; M. Ivanovitch, et al.
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