|Title||A Centroid Molecular Dynamics Study of Liquid Para-hydrogen and Ortho-deuterium|
|Publication Type||Journal Article|
|Year of Publication||2004|
|Authors||Hone, TD, Voth, GA|
|Journal||J Chem Phys|
Centroid molecular dynamics (CMD) is applied to the study of collective and single-particle dynamics in liquid para-hydrogen at two state points and liquid ortho-deuterium at one state point. The CMD results are compared with the results of classical molecular dynamics, quantum mode coupling theory, a maximum entropy analytic continuation approach, pair-product forward- backward semiclassical dynamics, and available experimental results. The self-diffusion constants are in excellent agreement with the experimental measurements for all systems studied. Furthermore, it is shown that the method is able to adequately describe both the single-particle and collective dynamics of quantum liquids.