An efficient and accurate method to calculate diffusion coefficient of structured particles. A first case study of Pb diffusion in rare gases

Matúška, Ján

doi:10.1515/acs-2016-0027

References

Arefiev KM, Lesjuis AR, Zamchenkov BM and Chemezman LSch, (1974) J. Eng. Phys. 27: 825.
Search in Google Scholar Back to article
Berendsen HJC (2007) Simulating the Physical World: From Quantum Mechanics to Fluid Dynamics, Cambridge University Press, Cambridge.10.1017/CBO9780511815348
Search in Google Scholar Back to article
Gardner AM, Withers CD, Wright TG, Kaplan KI, Chapman CYN, Viehland LA, Lee EPF and Breckenridge WH (2010) J. Chem. Phys., 132, 054302.
Search in Google Scholar Back to article
Hoheisel C and Vogelsang R (1988) Computer Physics reports 8: 1—69.10.1016/0167-7977(88)90007-X
Search in Google Scholar Back to article
Koperski J (2002) Phys. Rep. 369: 177.10.1016/S0370-1573(02)00200-4
Search in Google Scholar Back to article
Lee EPF, Gray BR, Joyner NA, Johnson SH, Viehland LA, Breckenridge WH and Wright TG (2007) Chem. Phys. Lett. 450: 19.
Search in Google Scholar Back to article
Li Z-H, Jasper AW, Bonhommeau DA, Valero R, Zheng J and Truhlar DG (2013) ANT 2013, University of Minnesota, Minneapolis.
Search in Google Scholar Back to article
Mason EA, McDaniel EW (1988) Transport Properties of Ions in Gases, Wiley, New York.10.1002/3527602852
Search in Google Scholar Back to article
Mesleh MF, Hunter JM, Shvartsburg AA, Schatz GC and Jarrold MF (1996) The Journal of Physical Chemistry 100: 16082—16086.10.1021/jp961623v
Search in Google Scholar Back to article
Sladek V, Bucinsky L, Matuska J, Ilcin M, Lukes V and Laurinc V (2014) Phys. Chem. Chem. Phys. 16: 18519—18532.
Search in Google Scholar Back to article
Soldán P, Lee EPF, Lozeille J, Murrell J N and Wright TG (2001) Chemical Physics Letters 343: 429—436.10.1016/S0009-2614(01)00717-5
Search in Google Scholar Back to article
Viehland LA and Chang Y (2010) Computer Physics Communications 181: 1687—1696.10.1016/j.cpc.2010.06.008
Search in Google Scholar Back to article
Viehland LA, Janzen AR and Aziz RA (1995) J. Chem. Phys., 102: 5444.
Search in Google Scholar Back to article

An efficient and accurate method to calculate diffusion coefficient of structured particles. A first case study of Pb diffusion in rare gases

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