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• W2057181785 abstract "The bond length, average binding energy, magnetic moment per atom and the ionic potential of Ni n (2-13) clusters were calculated in detail. The variations of magnetic moment per atom and the ionic potential agree well with experimental data. Theoretical results show that BPW91/Lanl2dz method is the best method and basis set for nickel clusters research, respectively. The ground state configurations and electronic structure properties of Ni n (2-13) clusters were investigated using the BPW91/LanL2DZ level of DFT method. Through the molecular orbital, we could explain the paramagnetic and diamagnetic to the influence of the magnetic moment after different nickel cluster molecular hybridization." @default.
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• W2057181785 date "2014-12-01" @default.
• W2057181785 modified "2023-09-26" @default.
• W2057181785 title "BPW91 Method Used in Analyzing Electronic Structures and Magnetic Properties of Ni_n (2-13) Clusters" @default.
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• W2057181785 doi "https://doi.org/10.4028/www.scientific.net/msf.809-810.406" @default.
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