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Theory And Application Of Quantum Molecular Dynamics

Af: John Zeng Hui Zhang Engelsk Hardback

Theory And Application Of Quantum Molecular Dynamics

Af: John Zeng Hui Zhang Engelsk Hardback
Tjek vores konkurrenters priser

This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the application of the modern reactive or rearrangement scattering theory, and is written in a fashion in which the development of the reactive scattering theory is closely coupled with its computational aspects for practical applications for realistic molecular reactions. The volume includes such topics as methods for calculating rovibrational states of molecules, fundamental quantum theory for scattering (nonreactive and reactive), modern time-independent computational methods for reactive scattering, general time-dependent wave packet methods for reactive scattering, dynamics theory of chemical reactions, dynamics of molecular fragmentation, semiclassical description of quantum mechanics, and also some useful appendices.

The book is intended for the reader to not only understand the molecular reaction dynamics from the fundamental scattering theory, but also utilize the provided computational methodologies in their practical applications. It should benefit graduate students and researchers in the field of chemical physics.

 

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This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the application of the modern reactive or rearrangement scattering theory, and is written in a fashion in which the development of the reactive scattering theory is closely coupled with its computational aspects for practical applications for realistic molecular reactions. The volume includes such topics as methods for calculating rovibrational states of molecules, fundamental quantum theory for scattering (nonreactive and reactive), modern time-independent computational methods for reactive scattering, general time-dependent wave packet methods for reactive scattering, dynamics theory of chemical reactions, dynamics of molecular fragmentation, semiclassical description of quantum mechanics, and also some useful appendices.

The book is intended for the reader to not only understand the molecular reaction dynamics from the fundamental scattering theory, but also utilize the provided computational methodologies in their practical applications. It should benefit graduate students and researchers in the field of chemical physics.

 

Produktdetaljer
Sprog: Engelsk
Sider: 384
ISBN-13: 9789810233884
Indbinding: Hardback
Udgave:
ISBN-10: 9810233884
Udg. Dato: 10 dec 1998
Længde: 0mm
Bredde: 0mm
Højde: 0mm
Forlag: World Scientific Publishing Co Pte Ltd
Oplagsdato: 10 dec 1998
Forfatter(e): John Zeng Hui Zhang
Forfatter(e) John Zeng Hui Zhang


Kategori Kvantekemi og teoretisk kemi


ISBN-13 9789810233884


Sprog Engelsk


Indbinding Hardback


Sider 384


Udgave


Længde 0mm


Bredde 0mm


Højde 0mm


Udg. Dato 10 dec 1998


Oplagsdato 10 dec 1998


Forlag World Scientific Publishing Co Pte Ltd

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