Static first hyperpolarisability.

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varuniitr
Posts: 69
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First name(s): Varun
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Affiliation: IIT Roorkee
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Static first hyperpolarisability.

Post by varuniitr » 19 May 2014, 06:52

Dear DALTON Users,
I calculated static first hyperpolarisabilty using DALTON . Is it TDHF or CPHF? How will be create difference between CPHF and TDHF?
Last edited by varuniitr on 19 May 2014, 07:49, edited 2 times in total.

taylor
Posts: 522
Joined: 15 Oct 2013, 05:37
First name(s): Peter
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Affiliation: Tianjin University
Country: China

Re: Calculation of static first hyperpolarisability

Post by taylor » 19 May 2014, 07:04

IMPORTANT!

Please be aware that comparing the performance of Gaussian (any version) with ANY other code --- whether the comparison is favourable or not... --- is explicitly prohibited under the Gaussian licence terms. You are running the risk of being "banned by Gaussian", which while it entitles you to membership in a select group (see bannedbygaussian.org) is neither helpful to you in your work nor your colleagues if you have a departmental or campus site licence.

I would suggest that Dalton developers do not comment on the question, even if they're already banned.

Best regards
Pete

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