Dear DALTON Users,
I calculated static first hyperpolarisabilty using DALTON . Is it TDHF or CPHF? How will be create difference between CPHF and TDHF?
Static first hyperpolarisability.
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varuniitr
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Static first hyperpolarisability.
Last edited by varuniitr on 19 May 2014, 07:49, edited 2 times in total.
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taylor
- Posts: 600
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Re: Calculation of static first hyperpolarisability
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
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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