Abstract
Original language | English (US) |
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State | Published - Aug 27 2014 |
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Keywords
- cond-mat.str-el
- physics.chem-ph
- quant-ph
Cite this
Molecular-Atomic Transition in the Deuterium Hugoniot with Coupled Electron Ion Monte Carlo. / Tubman, Norm M.; Liberatore, Elisa; Pierleoni, Carlo; Holzmann, Markus; Ceperley, David M.
2014.Research output: Working paper
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TY - UNPB
T1 - Molecular-Atomic Transition in the Deuterium Hugoniot with Coupled Electron Ion Monte Carlo
AU - Tubman, Norm M.
AU - Liberatore, Elisa
AU - Pierleoni, Carlo
AU - Holzmann, Markus
AU - Ceperley, David M.
N1 - 7 pages, 3 figures
PY - 2014/8/27
Y1 - 2014/8/27
N2 - We have performed accurate simulations of the Deuterium Hugoniot using Coupled Electron Ion Monte Carlo (CEIMC). Using highly accurate quantum Monte Carlo methods for the electrons, we study the region of maximum compression along the principal Hugoniot, where the system undergoes a continuous transition from a molecular fluid to a monatomic fluid. We include all relevant physical corrections so that a direct comparison to experiment can be made. Around 50 GPa we found a maximum compression of 4.85, roughly 10% larger than previous theoretical predictions and experimental data but still compatible with the latter because of their large uncertainty.
AB - We have performed accurate simulations of the Deuterium Hugoniot using Coupled Electron Ion Monte Carlo (CEIMC). Using highly accurate quantum Monte Carlo methods for the electrons, we study the region of maximum compression along the principal Hugoniot, where the system undergoes a continuous transition from a molecular fluid to a monatomic fluid. We include all relevant physical corrections so that a direct comparison to experiment can be made. Around 50 GPa we found a maximum compression of 4.85, roughly 10% larger than previous theoretical predictions and experimental data but still compatible with the latter because of their large uncertainty.
KW - cond-mat.str-el
KW - physics.chem-ph
KW - quant-ph
M3 - Working paper
BT - Molecular-Atomic Transition in the Deuterium Hugoniot with Coupled Electron Ion Monte Carlo
ER -