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Desireble feature: Projected CC amplitudes #106

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gustavojra opened this issue Sep 7, 2021 · 0 comments
Open

Desireble feature: Projected CC amplitudes #106

gustavojra opened this issue Sep 7, 2021 · 0 comments
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CoupledCluster Coupled cluster related issues

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@gustavojra
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We have the feature of allowing the usage of an old RHF object as an initial guess to another RHF (e.g. small basis to larger basis or different geometries).

It is possible to have the same type of projection in CC theory: https://pubs.acs.org/doi/10.1021/ct100636a

This is a highly desirable feature in order to produce thermochemical protocols, such as Focal Point Analysis.

@gustavojra gustavojra added the CoupledCluster Coupled cluster related issues label Sep 7, 2021
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