scientific article

zbMATH Open0966.81065MaRDI QIDQ2712877

Dušanka Janežič, Franci Merzel

Publication date: 21 August 2001

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zbMATH Keywords

molecular dynamics simulationshigh frequency motionssecond-order generalized leapfrog schemesplit integration symplectic method

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Software, source code, etc. for problems pertaining to quantum theory (81-04) Geometry and quantization, symplectic methods (81S10) Molecular physics (81V55)

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