Nuclear quantum effects in thermal conductivity from centroid molecular dynamics
We show that the centroid molecular dynamics (CMD) method provides a realistic way to calculate the thermal diffusivity a = λ/ρcV of a quantum mechanical liquid such as para-hydrogen. Once a has been calculated, the thermal conductivity can be obtained from λ = ρcVa, where ρ is the density of the li...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
AIP Publishing
2021
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