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- W2027564740 abstract "Density functional calculations on the electronic structure and magnetic properties of Ni5 and Ni6 clusters are presented in this work. The geometry and spin state of clusters are optimized for several starting symmetries. Moreover, those calculations are followed by a vibrational analysis to discriminate between real minima and saddle-points on the potential energy surface of clusters. Equilibrium geometries, electronic configurations, binding energies, magnetic moments, and harmonic frequencies of stable Ni5 and Ni6 clusters are reported." @default.
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- W2027564740 date "1999-11-01" @default.
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- W2027564740 title "Density functional calculations of Ni5 and Ni6 clusters" @default.
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- W2027564740 doi "https://doi.org/10.1016/s0166-1280(99)00090-1" @default.
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