A381701 Decimal expansion of the universal aspect ratio, also called the magic box length ratio, L_z/L_x = L_z/L_y, for which the finite-size error of the self-diffusion coefficient vanishes.
2, 7, 9, 3, 3, 5, 9, 6, 4, 9
Offset: 1
Examples
2.793359649...
Links
- J. Busch and D. Paschek, OrthoBoXY: A Simple Way to Compute True Self-Diffusion Coefficients from MD Simulations with Periodic Boundary Conditions without Prior Knowledge of the Viscosity. J. Phys. Chem. B 127 (2023), 7983-7987.
- B. Dünweg and K. Kremer, Molecular dynamics simulation of a polymer chain in solution. J. Chem. Phys. 99 (1993), 6983-6997.
- G. Kikugawa, T. Nakano, and T. Ohara, Hydrodynamic consideration of the finite size effect on the self-diffusion coefficient in a periodic rectangular parallelipiped system. J. Chem. Phys. 143 (2015), 024507.
- I.-C. Yeh and G. Hummer, System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions. J. Phys. Chem. B 108 (2004), 15873-15879.
Crossrefs
Cf. A185576.
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