Ab initio studies of anionic clusters of water pentamer

Conformers of water anionic pentamer cluster (H2O)(5)(-) have been reported here in using ab initio as well as density functional methods. Relative st abilities of these conformers obtained from inclusion of electron correlati on at various levels indicate that they are very close in energies. The plo ts of singly occupied molecular orbital (SOMO) reveal that the excess elect ron exhibits stabilization selectively as either a surface state or an inte rnal state. Vibrational frequencies of some of the conformers have also bee n reported at the MP2 level. (C) 2000 American Institute of Physics. [S0021 -9606(00)30403-2].