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- W2043897891 abstract "An ab initio pseudopotential local density functional calculation is performed on Si5H12 to determine its equilibrium structure and the energy for a number of slightly distorted structures. The parameters of a Keating potential are then found by a least-squares fitting to these energies. The photon frequencies of the bulk solid are derived from this potential and found to be in reasonably good agreement with the experimental results." @default.
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- W2043897891 date "1987-05-20" @default.
- W2043897891 modified "2023-09-27" @default.
- W2043897891 title "Ab initio calculation of the phonon frequencies in silicon using small atomic clusters" @default.
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- W2043897891 doi "https://doi.org/10.1088/0022-3719/20/14/002" @default.
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