Multiple time scales in classical and quantum-classical molecular dynamics

DOI10.1006/JCPH.1998.6142MaRDI QIDQ1305946zbMATH OpenOpenAlexFDO

Authors Sebastian Reich

Publication date 4 April 2000

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1006/jcph.1998.6142, https://openresearch.surrey.ac.uk/view/delivery/44SUR_INST/12140186030002346/13140394020002346

zbMATH Keywords

multiple time scalesNewtonian equationsquantum-classical molecular dynamicsVerlet method

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Biochemistry, molecular biology (92C40)

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Cited in

(10)

• Multiple molecular dynamics time-scales in Hybrid Monte Carlo fermion simulations
• Smoothed Langevin dynamics of highly oscillatory systems
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