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Semiclassical dynamics in up to 15 coupled vibrational degrees of freedom

Abstract:

The threshold photodetachment spectra of the Ar nI - (n=2-6) anions measured recently by Neumark and co-workers have been simulated semiclassically using the cellularized frozen Gaussian approximation of Walton and Manolopoulos. This is the first time that a semiclassical initial value method has been applied to a series of molecular problems with so many coupled degrees of freedom. It is found that the number of trajectories required for conver...

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Publication status:
Published

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Publisher copy:
10.1063/1.473532

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:
106
Issue:
12
Pages:
4832-4839
Publication date:
1997-03-22
DOI:
ISSN:
0021-9606
Language:
English
Pubs id:
pubs:45439
UUID:
uuid:f9255e1e-10f3-4b4f-b48f-528a3bd06e2a
Local pid:
pubs:45439
Source identifiers:
45439
Deposit date:
2012-12-19

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