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Thesis

Quantum mechanical wavepacket calculations on chemical reactions

Abstract:

The quantum mechanical time-dependent wavepacket method is introduced in the context of the field of chemical dynamics. The theory of the method is presented for two processes of interest in dynamics: molecular photodissociation, and reactive scattering. For the first of these processes, an expression is derived for the absorption spectrum of a molecule undergoing an electronic bound-continuum transition. For the second process, a time-dependent formulation is obtained for the S-matrix, an...

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Peer review status:
Peer Reviewed

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Department:
University of Oxford
This thesis was digitised thanks to the generosity of Dr Leonard Polonsky More from this funder
Publication date:
1998
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford
Local pid:
polonsky:1:35

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