- #1
jiadong
- 14
- 0
I am trying to understand the IR spectra of liquid. I can get the autocorrelation function of atoms' velocity,
<v_{i}(0)v_{i}(t)>
make a Fourier Transformation, the vibrational density of state (VDOS) can be obtained. Does the VDOS always be positive? Or it can also take negative value in some frequency region? Thanks
<v_{i}(0)v_{i}(t)>
make a Fourier Transformation, the vibrational density of state (VDOS) can be obtained. Does the VDOS always be positive? Or it can also take negative value in some frequency region? Thanks