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Matches in SemOpenAlex for { <https://semopenalex.org/work/W1966128885> ?p ?o ?g. }

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• W1966128885 startingPage "12234" @default.
• W1966128885 abstract "We perform ab initio molecular-dynamics simulations using the higher-order finite-difference-pseudopotential (FDP) method to calculate the interatomic forces. Our approach is compared to molecular-dynamics-simulation calculations where the forces are calculated using a plane-wave basis. The ground-state structures of small silicon clusters obtained from the FDP simulation are in excellent agreement with those of the plane-wave method. The FDP method is performed completely in real space, and is easier to implement than methods based on a plane-wave expansion." @default.
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• W1966128885 date "1994-10-15" @default.
• W1966128885 modified "2023-10-16" @default.
• W1966128885 title "<i>Ab</i><i>initio</i>molecular-dynamics simulations of Si clusters using the higher-order finite-difference-pseudopotential method" @default.
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• W1966128885 doi "https://doi.org/10.1103/physrevb.50.12234" @default.
• W1966128885 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9975378" @default.
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