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Direct simulation of quantum dynamic...

Menzeleev, Artur R.

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Direct simulation of quantum dynamics in complex systems.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Direct simulation of quantum dynamics in complex systems./
作者:	Menzeleev, Artur R.
面頁冊數:	194 p.
附註:	Source: Dissertation Abstracts International, Volume: 75-09(E), Section: B.
Contained By:	Dissertation Abstracts International75-09B(E).
標題:	Chemistry, Physical. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3623065
ISBN:	9781303953002

Direct simulation of quantum dynamics in complex systems.
Menzeleev, Artur R.

Direct simulation of quantum dynamics in complex systems. - 194 p.

Source: Dissertation Abstracts International, Volume: 75-09(E), Section: B.

Thesis (Ph.D.)--California Institute of Technology, 2014.

Accurate simulation of quantum dynamics in complex systems poses a fundamental theoretical challenge with immediate application to problems in biological catalysis, charge transfer, and solar energy conversion. The varied length- and timescales that characterize these kinds of processes necessitate development of novel simulation methodology that can both accurately evolve the coupled quantum and classical degrees of freedom and also be easily applicable to large, complex systems. In the following dissertation, the problems of quantum dynamics in complex systems are explored through direct simulation using path-integral methods as well as application of state-of-the-art analytical rate theories.

ISBN: 9781303953002Subjects--Topical Terms:

560527
Chemistry, Physical.

Direct simulation of quantum dynamics in complex systems.
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520 $a Accurate simulation of quantum dynamics in complex systems poses a fundamental theoretical challenge with immediate application to problems in biological catalysis, charge transfer, and solar energy conversion. The varied length- and timescales that characterize these kinds of processes necessitate development of novel simulation methodology that can both accurately evolve the coupled quantum and classical degrees of freedom and also be easily applicable to large, complex systems. In the following dissertation, the problems of quantum dynamics in complex systems are explored through direct simulation using path-integral methods as well as application of state-of-the-art analytical rate theories.
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