@article {465, title = {A Centroid Molecular Dynamics Study of Liquid Para-hydrogen and Ortho-deuterium}, journal = {J Chem Phys}, volume = {121}, number = {13}, year = {2004}, note = {Hone, Tyler D Voth, Gregory A United States The Journal of chemical physics J Chem Phys. 2004 Oct 1;121(13):6412-22.}, pages = {6412-22}, abstract = {

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.

}, doi = {10.1063/1.1780951}, author = {Hone, T. D. and G. A. Voth} }