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Dynamics and localization in multi-w...

The University of Chicago.

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Dynamics and localization in multi-well systems.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Dynamics and localization in multi-well systems./
作者:	Zhang, Ming.
面頁冊數:	109 p.
附註:	Adviser: Stuart A. Rice.
Contained By:	Dissertation Abstracts International69-07B.
標題:	Chemistry, Physical. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3322661
ISBN:	9780549744535

Dynamics and localization in multi-well systems.
Zhang, Ming.

Dynamics and localization in multi-well systems. - 109 p.

Adviser: Stuart A. Rice.

Thesis (Ph.D.)--The University of Chicago, 2008.

In the first part of this dissertation we reported the results of classical mechanics simulations of infrared field induced control of isomerization of FCN, ClCN and BrCN in liquid Ar, using density functional potential energy and dipole moment surfaces. The isomerization and fragmentation dynamics were found to be different from that of HCN in liquid Ar, where complete conversion of HCN to CNH can be achieved. Reasons to this difference, including nonlinear resonances, solute-solvent interactions and the occurrence of monodromy, were discussed.

ISBN: 9780549744535Subjects--Topical Terms:

560527
Chemistry, Physical.

Dynamics and localization in multi-well systems.
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502 $a Thesis (Ph.D.)--The University of Chicago, 2008.
520 $a In the first part of this dissertation we reported the results of classical mechanics simulations of infrared field induced control of isomerization of FCN, ClCN and BrCN in liquid Ar, using density functional potential energy and dipole moment surfaces. The isomerization and fragmentation dynamics were found to be different from that of HCN in liquid Ar, where complete conversion of HCN to CNH can be achieved. Reasons to this difference, including nonlinear resonances, solute-solvent interactions and the occurrence of monodromy, were discussed.
520 $a In the second and third parts of this dissertation we first determined the quantum states and the far infrared spectrum of the endohedral fullerene Li C60 for the case that the C60 cage is assumed to be stationary, using density functional potential energy surfaces. We then studied the classical and quantum dynamics of this system and their correspondence. We reported a quantum localization effect, connected it with the presence of one or a family of stable periodic orbits and showed the relation between a factor-of-two density enhancement in quantum dynamics and the presence of symmetry and classical chaos.
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