Measuring the properties of liquids by counting
1994 ◽
Vol 446
(1928)
◽
pp. 429-439
Keyword(s):
In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a notional plane in the liquid. This method is used in homogeneous liquids as an alternative way of determining the temperature, the diffusion coefficient and the velocity autocorrelation function. In inhomogeneous systems the new procedure is used to determine the density profile. For all properties, except the velocity autocorrelation function, the method proposed is more accurate for given computational effort than the coventional one.
2009 ◽
Vol 22
(S16)
◽
pp. 91-100
1986 ◽
Vol 19
(9)
◽
pp. 1319-1328
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2021 ◽
Vol 13
(2)
◽
pp. 149-156
1977 ◽
Vol 66
(9)
◽
pp. 3866-3870
◽
1971 ◽
Vol 4
(12)
◽
pp. 1466-1478
◽
1972 ◽
Vol 5
(4)
◽
pp. 353-365
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