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Könyv Several new developments in quantum reaction dynamics Dunyou Wang

Several new developments in quantum reaction dynamics

Szerző: Dunyou Wang
Nyelv: Angol
Kötés: Puha kötésű
Kiadó: VDM Verlag
Elérhetőség: Beszállítói készleten
Küldés 9-15 napon belül
22 776 Ft
In recent years, quantum dynamics scattering theory§has been well developed for small systems, such...

Információk a könyvről

Szerző
Dunyou Wang
Nyelv
Angol
Kötés
Könyv - Puha kötésű
Kiadva
2009
oldal
128
EAN
9783639168846
ISBN
3639168844
Enbook ID
06825238
Kiadó
VDM Verlag
Súly
200
Méretek
152 x 229 x 8

Teljes leírás

In recent years, quantum dynamics scattering theory§has been well developed for small systems, such as§three or four atom systems. In this book, based on§the author's Ph.D. dissertation, the Reactant Product§Decoupling§approach has been developed for photodissociation§systems to save the computational§effort in dynamics calculations without losing the§computational accuracy. Another challenging aspect is§how to correct available but not accurate potential§energy surfaces (PES) to experimentally accurate ones§that are crucial to§the accuracy of the dynamics calculations. The§Inverse Perturbation via Singular Value Decomposition§method has been proposed to correct the§available PES by using the experimental data as input. §For polyatomic systems, Semi-rigid Vibrating Rotor§Target model has been developed to deal with§polyatomic reactions on a rigid surface. This model§surpasses the diatomic model for polyatomic molecule§reactions on surfaces, especially for the rotational§motion which is treated accurately. Applications of§the above theories to specific chemical reactions are§presented in this book.

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