applying external electric field

[Oleksii]

Dear community,

Can anyone suggest a way to apply a constant external electric field along a particular vector in a single-point-energy DFT calculation?

I looked into the manual, and have found only the option to include the time-dependent field in a TD-DFT calculation:

https://nwchemgit.github.io/RT-TDDFT.html?h=electric+field#field-sub-block-for-specifying-external-electric-fields

Unfortunately, this will not work for me, as I need to study the change of ground-state energy under a constant electric field.

Are there any options (or workarounds) to create a constant field in DFT?

I would appreciate your help.

Best regards,

Oleksii

[jeff.science]

I'm a bit rusty but isn't this by adding the dipole operator with a scaling constant to the Fock matrix?  You can hack this with point charges, of course.

Jeff