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| static properties |
dynamical properties |
||||
|---|---|---|---|---|---|
| method | heat capacity | structure | dielectric constant | diffusion | absorption spectrum |
| classical/BOMD | – | – | – | – | – |
| 1PT | + | – | – | – | – |
| 2PT | + | – | – | – | – |
| 1PT+AC | ++ | – | – | – | – |
| GSTA | ++ | ++ | + | – | + |
| PIMD | +++ | +++ | +++ | – | – |
| CMD, RPMD, LSC-IVR | +++ | +++ | +++ | ++ | ++ |
–, no effect; +, rough estimation; ++, good approximation; +++, exact for a particular potential.
