Optimization with Applied Electric Field

1

Looking for the syntax to apply an electric field in a particular direction while optimizing.

Thanks!

2

Please check the samples page when looking for the syntax for something. You can see an example of applying an electric field here.

No special syntax is needed for an optimization.

3

thank you for the help.

4

Following up on this …

Is this the only way one can accomplish an applied electric field in Psi4? How is this accomplished during the polarizability calculations?

thanks.

5

Analytic polarizability calculations do not rely on energy computations at nonzero values of an electric field, so “How is this accomplished during the polarizability calculations?” doesn’t make sense.

I strongly suspect that you’re trying to find a way to do something unusual and are asking this to try and get a piece working, but are also missing essential background. Just ask me what you’re trying to do directly.

7

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