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Structural relaxation in Morse clusters: Energy landscapes

Abstract:
We perform a comprehensive survey of the potential energy landscapes of 13-atom Morse clusters, and describe how they can be characterized and visualized. Our aim is to detail how the global features of the funnel-like surface change with the range of the potential, and to relate these changes to the dynamics of structural relaxation. We find that the landscape becomes rougher and less steep as the range of the potential decreases, and that relaxation paths to the global minimum become more complicated.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/1.478067

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
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Name:
Gonville and Caius College, Cambridge
More from this funder
Name:
Engineering and Physical Sciences Research Council
Publisher:
American Institute of Physics
Journal:
Journal of Chemical Physics More from this journal
Volume:
110
Issue:
1
Pages:
328-334
Publication date:
1998-08-01
DOI:
ISSN:
0021-9606
Language:
English
Keywords:
Pubs id:
pubs:36761
UUID:
uuid:e72e38cc-9c34-4579-b514-3a6bf939ff59
Local pid:
pubs:36761
Source identifiers:
36761
Deposit date:
2013-03-20

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