The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen
AUTOR(ES)
Rabani, Eran
FONTE
The National Academy of Sciences
RESUMO
We present a method based on augmenting an exact relation between a frequency-dependent diffusion constant and the imaginary time velocity autocorrelation function, combined with the maximum entropy numerical analytic continuation approach to study transport properties in quantum liquids. The method is applied to the case of liquid para-hydrogen at two thermodynamic state points: a liquid near the triple point and a high-temperature liquid. Good agreement for the self-diffusion constant and for the real-time velocity autocorrelation function is obtained in comparison to experimental measurements and other theoretical predictions. Improvement of the methodology and future applications are discussed.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=122155Documentos Relacionados
- Determination of phenobarbital in human plasma by a specific liquid chromatography method: application to a bioequivalence study
- Does the maximum entropy method improve sensitivity?
- Kernel energy method: Application to insulin
- AN IMPROVED ITERATION METHOD FOR THE CALCULATION OF SURFACE TENSION USING THE SIGNIFICANT STRUCTURE THEORY OF LIQUIDS
- A simulation method for calculating the absolute entropy and free energy of fluids: Application to liquid argon and water