Multiwfn forum

iamshamim

Member

Registered: 2019-10-13

Posts: 5

How to do calculate orientation polarizability?

Dear all,
Hi, I want to know that how to do calculate orientation polarizability and which kind of software is used for this calculation?.

Thanks,
Shamim Ahmed

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: How to do calculate orientation polarizability?

I don't have experience in calculating orientation polarizability, it seems that molecular dynamics simulation is able to explicitly calculate this quantity. You can try to simultaneously search "orientation polarizability" and "molecular dynamics" in Google to check whether there are papers describing this kind of simulation.

Best regards,

Tian