Two-photon transition tensor derivatives

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olya
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Joined: 27 Jun 2019, 11:07
First name(s): Olga
Last name(s): Mazaleva
Affiliation: Lomonosov Moscow State University
Country: Russian Federation

Two-photon transition tensor derivatives

Post by olya » 27 Jun 2019, 12:22

Dear Dalton Community,

I want to get first derivatives of two-photon transition tensor with respect to normal coordinates. Can Dalton do it automatically? If not, maybe it is possible to run **RESPONSE module at every geometry generated via *WALK .NUMERI?

Best regards,
Olya

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magnus
Posts: 500
Joined: 27 Jun 2013, 16:32
First name(s): Jógvan Magnus
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Affiliation: Hylleraas Centre, UiT The Arctic University of Norway
Country: Norway

Re: Two-photon transition tensor derivatives

Post by magnus » 03 Jul 2019, 13:35

As far as I can see this is not possible to do automatically, neither directly nor through the WALK module.

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