How to calculate the polarizability and hyperpolarizability?

[Malsha Jayasinghe]

Hi, 

I'm trying to calculate the polarizability and hyperpolarizability  of para-nitroaniline(pNA)  and CO in a time dependent electric field.

I need to know the keywords to calculate polarizability and hyperpolarizability. 

Thanks!

Malsha Jayasinghe.

[Govind, Niri]

Hi, Take a look at the real-time TDDFT documentation in our online wiki for the time-dependent linear polarizability.

We have not implemented the hyperpolarizability in our real-time module.

 

Best,

-Niri Govind

--
You received this message because you are subscribed to the Google Groups "NWChem Forum" group.
To unsubscribe from this group and stop receiving emails from it, send an email to nwchem-forum...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/nwchem-forum/a2795c10-e0f5-4086-9b29-5c74c828ee78o%40googlegroups.com.

[Edoardo Aprà]

Here is  website section

https://nwchemgit.github.io/RT-TDDFT.html#worked-examples

[Malsha Jayasinghe]

Thanks a lot!

--
You received this message because you are subscribed to a topic in the Google Groups "NWChem Forum" group.
To unsubscribe from this topic, visit https://groups.google.com/d/topic/nwchem-forum/ik7YfuO7HGA/unsubscribe.
To unsubscribe from this group and all its topics, send an email to nwchem-forum...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/nwchem-forum/681b6c6a-4e3e-45d4-af03-a4f0cb81dc7ao%40googlegroups.com.