A “molecular dynamics” computer simulation of liquid CH2Cl2 and CHCl3 has revealed a time dependence of the simple kinetic energy correlation function 〈v^2(O)J^2(t)〉/(〈v^2(O)〉〈J^2(O)〉) where is the c. of m. linear velocity and the molecular momentum. This is constant at unity for all t in conventional analytical theory, which is therefore in need of development. The variates and are not Gaussian during the approach to equilibrium.
The correlation of molecular rotational and translational kinetic energy in liquid CH2Cl2 and CHCl3 / M. W., Evans; Ferrario, Mauro. - In: ADVANCES IN MOLECULAR RELAXATION AND INTERACTION PROCESSES. - ISSN 0378-4487. - STAMPA. - 23:(1982), pp. 69-73. [10.1016/0378-4487(82)80026-5]
The correlation of molecular rotational and translational kinetic energy in liquid CH2Cl2 and CHCl3
FERRARIO, Mauro
1982
Abstract
A “molecular dynamics” computer simulation of liquid CH2Cl2 and CHCl3 has revealed a time dependence of the simple kinetic energy correlation function 〈v^2(O)J^2(t)〉/(〈v^2(O)〉〈J^2(O)〉) where is the c. of m. linear velocity and the molecular momentum. This is constant at unity for all t in conventional analytical theory, which is therefore in need of development. The variates and are not Gaussian during the approach to equilibrium.
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