Recent content by Giogio

Ahhh, of course, when comparing the partition functions, they get exponents so that the factor for the zero of energy falls out again. Now it's clear. Thank you very much!

Hi, Okay, thanks a lot for your help so far, mfb! I've now retraced and understood that it is of no importance for the probability distribution between the modes if you use q_{vib} = \prod_i \frac{e^{{-\epsilon_i}/{2kT}}}{1-e^{{-\epsilon}/{kT}}} or q_{vib} = \prod_i...

Oh, sorry, forgot about the temperature, it was 298K. Energy differences is a good point, I'll have to think about this some more.

Hey mfb, Thank you! How would you do that? In my example, the energies would be \epsilon_1 = h\nu_1 = 3,18E-20 J \epsilon_2 = h\nu_2 = 7,38E-20 J \epsilon_3 = h\nu_2 = 7,61E-20 J and the only equation I'm finding for those would be q_{vib} = \prod_i...

Hello everybody, I registered here hoping to finally find a fundated answer about what I by myself seem not be able to figure out. Question in short: We have calculated a list of wavenumbers for some molecular systems. How do you get the vibrational partition function from that? My...