Unformatted text preview: C V and the standard deviations for the averages of P and U of the 4 pieces, what do you get? What are the limits of these numbers as the molecular dynamics trajectory lengths get very large? Finally, what is the difference in the meaning of the standard deviations from the whole trajectory and the standard deviations of averages of pieces of the trajectory? 2. Compute at least two P-V isotherms. See if you can find one in the liquid-vapor coexistence region. If you can find one, estimate the densities of the two phases at coexistence. Be sure to state and justify all assumptions made. Modified: 11/04/03...
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- Spring '03
- Mole, Molecule, standard deviations, Computational chemistry, Molecular dynamics