Conference icon

Conference

Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters

Abstract:

We have developed a method to search potential energy surfaces which avoids some of the difficulties associated with trapping in local minima. Steps are directly taken between minima using eigenvector-following. Exploration of this space by low temperature Metropolis Monte Carlo is a useful global optimisation tool. This method successfully finds the lowest energy icosahedral minima of LennardJones clusters from random starting configurations, but cannot find the global minimum in a reasonabl...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1007/s004600050192

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Volume:
40
Issue:
1-4
Pages:
194-197
Publication date:
1997
DOI:
EISSN:
1431-5866
ISSN:
0178-7683
URN:
uuid:c32fea63-3a44-4ba7-b674-e92491b334ed
Source identifiers:
45627
Local pid:
pubs:45627

Terms of use


Metrics



If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP