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Relaxed CCDENSITIES

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2 years 11 months ago #322 by pdem
Replied by pdem on topic Relaxed CCDENSITIES
Is it in a such way obtained two-electron DM relaxed one? Because I do not reproduced proper electron-electron energy with it. The MRCC produced g2aa matrix leads to different Vee energy. Is it possible to obtain 'more' relaxed 2PDM? :)

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