Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats (Q608837)
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scientific article; zbMATH DE number 5819947
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| English | Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats |
scientific article; zbMATH DE number 5819947 |
Statements
Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats (English)
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26 November 2010
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numerical integrator
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configurational temperature
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diffusion coefficient
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Debye relaxation time
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radial distribution function
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Nosé-Hoover thermostat
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Langevin thermostat
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backward error analysis
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Richardson extrapolation
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0.7434104681015015
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0.7352340817451477
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0.7288221716880798
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0.7141136527061462
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0.7140844464302063
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