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9783319220802: Density-functional Methods for Excited States

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ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.

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�diteur: Springer International Publishing AG
Date d'�dition: 2015
Langue: anglais
ISBN 10: 3319220802
ISBN 13: 9783319220802
Reliure: Reli�
Num�ro d'�dition: 1
Nombre de pages: 493
�diteur: Ferr� Nicolas, Filatov Michael, Huix-Rotllant Miquel
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Density-Functional Methods for Excited States (Topics in Current Chemistry, 368) [Hardcover] Ferr�, Nicolas; Filatov, Michael and Huix-Rotllant, Miquel (eng)

Ferr�, Nicolas

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Density-Functional Methods for Excited States

Ferr�, Nicolas|Filatov, Michael|Huix-Rotllant, Miquel

Edit� par Springer International Publishing, 2015

ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. This series presents critical reviews of the present position and future trends in modern chemical researchShort and concise reports on chemistry, each written by the world renowned expertsStill valid and useful after 5 or 10 yearsMo. N� de r�f. du vendeur 35623961

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Density-Functional Methods for Excited States (Topics in Current Chemistry, 368)

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ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Density-Functional Methods for Excited States

Nicolas Ferr�

Edit� par Springer International Publishing Sep 2015, 2015

ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Buch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.Review articles for the individual volumes are invited by the volume editors.Readership: research chemists at universities or in industry, graduate students 496 pp. Englisch. N� de r�f. du vendeur 9783319220802

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Density-Functional Methods for Excited States

Nicolas Ferr�

Edit� par Springer International Publishing, Springer International Publishing Sep 2015, 2015

ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Buch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.Review articles for the individual volumes are invited by the volume editors.Readership: research chemists at universities or in industry, graduate studentsSpringer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 496 pp. Englisch. N� de r�f. du vendeur 9783319220802

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Density-Functional Methods for Excited States

Miquel Huix-Rotllant

Edit� par Palgrave Macmillan, 2015

ISBN 10 : 3319220802 ISBN 13 : 9783319220802

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Buch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.Review articles for the individual volumes are invited by the volume editors.Readership: research chemists at universities or in industry, graduate students. N� de r�f. du vendeur 9783319220802

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