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So far, I could find these three sources for parameters for a LJ parametrisation of Li

So far, I could find these three sources for parameters for a LJ parametrisation of Li

These results are different since they have been parametrized to optimize different properties and show that there is not a unique way to parametrize this element. Besides the large variability, a posteriori, I can see how transport quantity are not largely modified by the specific value.

So far, I could find these three sources for parameters for a LJ parametrisation of Li | | Ref | epsilon (kJ/mol) | sigma (Ang) | | - | ------------ | --- | --- | | 1 | CL&P for ionic liquids | 0.07648 | 2.126 | | 2 | Wu & Wick Macrom. 2010 | 1.67470 | 1.400 | | 3 | Starovoytov J. Phys. Chem. B 2021 | 0.10500 | 2.000 |

So far, I could find these three sources for parameters for a LJ parametrisation of Li

So far, I could find these three sources for parameters for a LJ parametrisation of Li ||Ref | epsilon (kJ/mol) | sigma (Angstrom)| |--| --- | --- | --- | |1 |CL&P force field for ionic liquids|0.07648|2.126| |2 |H. Wu & C.D. Wick Macromolecules 2010, 43, 7, 3502–3510 | 1.67470 | 1.400 | |3 | Starovoytov J. Phys. Chem. B 2021 |0.10500 | 2.000 |

So far, I could find these three sources for parameters for a LJ parametrisation of Li | | Ref | epsilon (kJ/mol) | sigma (Ang) | |  - | ------------ | --- | --- | | 1 |  CL&P for ionic liquids | 0.07648 | 2.126 | | 2 |  Wu & Wick Macrom. 2010 | 1.67470 | 1.400 | | 3 | Starovoytov J. Phys. Chem. B 2021 | 0.10500 | 2.000 |