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• W2094549582 abstract "We present a novel tight-binding scheme designed for total-energy and molecular-dynamics simulations in III-V compounds. The role played by orbital overlap and charge transfer is critically addressed and suitably modelled. Comparisons to first-principles density-functional and Hartree-Fock data are presented and commented on in view of the interpolative character of the present method." @default.
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• W2094549582 date "1994-07-11" @default.
• W2094549582 modified "2023-09-26" @default.
• W2094549582 title "Tight-binding molecular dynamics in liquid III-V compounds. I. Potential generation" @default.
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• W2094549582 doi "https://doi.org/10.1088/0953-8984/6/28/003" @default.
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