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- W812239529 abstract "We introduce a first-principles density-fumctional theory,i.e.the finite-differcnce pseudopotential density-functional theory in real space and the langevin molecular dynamics annealing technique,to the descriptions of structures and some properties of small carbon clusters(CN,N=2-8).It is shown that the odd-numbered clusters have linear structures and most of the even-numbered clusters prefer cyclic structures." @default.
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- W812239529 date "2004-01-01" @default.
- W812239529 modified "2023-09-27" @default.
- W812239529 title "Pseudopotential Density-Functional Calculations for Structures of Small CarbonClusters CN （N=2-8）" @default.
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