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Static first hyperpolarisability.
Posted: 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?
Re: Calculation of static first hyperpolarisability
Posted: 19 May 2014, 07:04
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.