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Physical properties of small water clusters in low and moderate electric fields
Authors:Acosta-Gutiérrez S  Hernández-Rojas J  Bretón J  Llorente J M Gomez  Wales D J
Affiliation:Departamento de Fi?sica Fundamental II and IUdEA, Universidad de La Laguna, 38205 Tenerife, Spain.
Abstract:
Likely candidates for the lowest minima of water clusters (H(2)O)(N) for N ≤ 20 interacting with a uniform electric field strength in the range E ≤ 0.6 V/? have been identified using basin-hopping global optimization. Two water-water model potentials were considered, namely TIP4P and the polarizable Dang-Chang potential. The two models produce some consistent results but also exhibit significant differences. The cluster internal energy and dipole moment indicate two varieties of topological transition in the structure of the global minimum as the field strength is increased. The first takes place at low field strengths (0.1 V/? 10) usually forming helical structures.
Keywords:
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