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- W1976587971 abstract "Density-functional calculations with simulated annealing have been performed for aluminum clusters ${mathrm{Al}}_{mathit{n}}$ up to n=10. There are many local minima in the energy surfaces, with a rich variety of structures and spin multiplicities. With increasing cluster size we find transitions from planar to nonplanar structures at n=5, and to states with minimum spin degeneracy at n=6. There are stable isomers of ${mathrm{Al}}_{5--}$${mathrm{Al}}_{10}$ with buckled planar structures reminiscent of the layers in crystalline ensuremath{alpha}-gallium. All structures show regular patterns of bond and dihedral angles. Trends in binding and ionization energies are compared with experiment and with the predictions of other calculations." @default.
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- W1976587971 date "1991-07-08" @default.
- W1976587971 modified "2023-09-25" @default.
- W1976587971 title "Structure and bonding in small aluminum clusters" @default.
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- W1976587971 doi "https://doi.org/10.1103/physrevlett.67.224" @default.
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