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- W132236611 endingPage "1462" @default.
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- W132236611 abstract "The many-atom potentials for the bond order, which have recently been derived within tight-binding Huckel theory, are shown to satisfy two different sum rules. The first relates to the moments of the density of states about a given atom. The second provides a constraint on the terminator of any approximate bond order potential. The bond order potentials are found to provide well converged results for simple s-valent lattices if terms up to the fourth moment are retained in the many-atom expansion and the terminator is chosen to satisfy the second sum rule." @default.
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- W132236611 date "1993-01-01" @default.
- W132236611 modified "2023-09-25" @default.
- W132236611 title "Bond order potentials and sum rules" @default.
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- W132236611 doi "https://doi.org/10.1016/b978-0-444-89778-7.50131-6" @default.
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