TDDFT for nanostructures and biomolecules: A time-dependent density-functional theory scheme for the computation of the electromagnetic response of nanostructure - Softcover
Synopsis
We present a study of first principles computational techniques for the description of chemical systems in the nanometer scale: clusters, nanostructures and biomolecules. The scope of our methodology comprises linear and non-linear interactions of electromagnetic fields with nanostructures, the latter being described through the point-nuclei approximation, whereas the electromagnetic fields are described classically. We have focused on both small to medium sized inorganic clusters and on small organic and biological systems. We have considered both their linear photoresponse (e.g. optical absorption) and their non-linear interaction with intense femtosecond lasers. Also, the underlying nuclear structure is not inert: the coupling of the excited electronic states with the vibronic degrees of freedom is also studied -- which may lead to processes such as photodissociation, photoisomerization, etc. In these latter cases, we have investigated non-adiabatic molecular dynamics simulations within our formalism.
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About the Author
Alberto Castro studied Physics at the University of Valladolid, Spain, where he received his PhD in 2004. He has worked at the Free University of Berlin and at the Fritz-Haber Institute of the Max-Planck Society, also in Berlin, and currently works at the Institute for Biocomputation and Physics of Complex Systems (BIFI), in Zaragoza (Spain).
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TDDFT for nanostructures and biomolecules
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LAP LAMBERT Academic Publishing Dez 2011, 2011
ISBN 10: 3846554022
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -We present a study of first principles computational techniques for the description of chemical systems in the nanometer scale: clusters, nanostructures and biomolecules. The scope of our methodology comprises linear and non-linear interactions of electromagnetic fields with nanostructures, the latter being described through the point-nuclei approximation, whereas the electromagnetic fields are described classically. We have focused on both small to medium sized inorganic clusters and on small organic and biological systems. We have considered both their linear photoresponse (e.g. optical absorption) and their non-linear interaction with intense femtosecond lasers. Also, the underlying nuclear structure is not inert: the coupling of the excited electronic states with the vibronic degrees of freedom is also studied -- which may lead to processes such as photodissociation, photoisomerization, etc. In these latter cases, we have investigated non-adiabatic molecular dynamics simulations within our formalism. 264 pp. Englisch. Seller Inventory # 9783846554029
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TDDFT for nanostructures and biomolecules
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Castro AlbertoAlberto Castro studied Physics at the University of Valladolid, Spain, where he received his PhD in 2004. He has worked at the Free University of Berlin and at the Fritz-Haber Institute of the Max-Planck Society, also i. Seller Inventory # 5498662
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Tddft for Nanostructures and Biomolecules
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Tddft for Nanostructures and Biomolecules
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TDDFT for nanostructures and biomolecules | A time-dependent density-functional theory scheme for the computation of the electromagnetic response of nanostructure
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Taschenbuch. Condition: Neu. TDDFT for nanostructures and biomolecules | A time-dependent density-functional theory scheme for the computation of the electromagnetic response of nanostructure | Alberto Castro | Taschenbuch | 264 S. | Englisch | 2011 | LAP LAMBERT Academic Publishing | EAN 9783846554029 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu. Seller Inventory # 106696466
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Tddft for Nanostructures and Biomolecules
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TDDFT for nanostructures and biomolecules
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LAP LAMBERT Academic Publishing Dez 2011, 2011
ISBN 10: 3846554022
ISBN 13: 9783846554029
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Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -We present a study of first principles computational techniques for the description of chemical systems in the nanometer scale: clusters, nanostructures and biomolecules. The scope of our methodology comprises linear and non-linear interactions of electromagnetic fields with nanostructures, the latter being described through the point-nuclei approximation, whereas the electromagnetic fields are described classically. We have focused on both small to medium sized inorganic clusters and on small organic and biological systems. We have considered both their linear photoresponse (e.g. optical absorption) and their non-linear interaction with intense femtosecond lasers. Also, the underlying nuclear structure is not inert: the coupling of the excited electronic states with the vibronic degrees of freedom is also studied -- which may lead to processes such as photodissociation, photoisomerization, etc. In these latter cases, we have investigated non-adiabatic molecular dynamics simulations within our formalism.Books on Demand GmbH, Überseering 33, 22297 Hamburg 264 pp. Englisch. Seller Inventory # 9783846554029
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TDDFT for nanostructures and biomolecules : A time-dependent density-functional theory scheme for the computation of the electromagnetic response of nanostructure
Published by
LAP LAMBERT Academic Publishing, 2011
ISBN 10: 3846554022
ISBN 13: 9783846554029
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Taschenbuch
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Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - We present a study of first principles computational techniques for the description of chemical systems in the nanometer scale: clusters, nanostructures and biomolecules. The scope of our methodology comprises linear and non-linear interactions of electromagnetic fields with nanostructures, the latter being described through the point-nuclei approximation, whereas the electromagnetic fields are described classically. We have focused on both small to medium sized inorganic clusters and on small organic and biological systems. We have considered both their linear photoresponse (e.g. optical absorption) and their non-linear interaction with intense femtosecond lasers. Also, the underlying nuclear structure is not inert: the coupling of the excited electronic states with the vibronic degrees of freedom is also studied -- which may lead to processes such as photodissociation, photoisomerization, etc. In these latter cases, we have investigated non-adiabatic molecular dynamics simulations within our formalism. Seller Inventory # 9783846554029