9789401014588 - localization and delocalization in quantum chemistry: ionized and excited states: 2 di chalvet, odilon; daudel, raymond; diner, simon; malrieu, jean paul (12 risultati)
Localization and Delocalization in Quantum Chemistry: Ionized and Excited States
Chalvet, Odilon; Daudel, Raymond; Diner, Simon; Malrieu, Jean Paul
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Condizione: New. pp. 488.
Localization and Delocalization in Quantum Chemistry: Ionized and Excited States
Chalvet, Odilon/ Daudel, Raymond/ Diner, Simon/ Malrieu, Jean Paul
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Paperback. Condizione: Brand New. 488 pages. 9.61x6.69x1.10 inches. In Stock.
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Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - The second volume of the proceedings of the international seminar devoted to locali zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and ex…ited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.
Localization and Delocalization in Quantum Chemistry: Ionized and Excited States (Localization and Delocalization in Quantum Chemistry, 2)
Chalvet, Odilon, Daudel, Raymond, Diner, Simon, Malrieu, Jea
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Condizione: new. Questo è un articolo print on demand.
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Da: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, GermaniaBuchWeltWeit Ludwig Meier e.K.
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Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The second volume of the proceedings of the international seminar devoted to locali zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons i…n ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation. 488 pp. Englisch.
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Condizione: New. Print on Demand pp. 488.
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Da: Biblios, frankfurt am main, HESSE, GermaniaBiblios
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Condizione: New. PRINT ON DEMAND pp. 488.
Lingua: Inglese
Editore: Springer Netherlands, Springer Netherlands Okt 2011, 2011
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Da: buchversandmimpf2000, Emtmannsberg, BAYE, Germaniabuchversandmimpf2000
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Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -The second volume of the proceedings of the international seminar devoted to locali zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in io…nized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.Springer-Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 488 pp. Englisch.
