APG
#441
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Before implementing APG in the relativistic case, we'd have to first determine all the correct building blocks for relativistic calculations: the one- and two-electron integrals, transformation matrices, bispinor bases and density matrices. |
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Describe the feature you'd like
Conceptually, APG is the most flexible geminal inside a given spinor/bispinor space. I would like to implement
Describe what the current code offers in relation to what it lacks
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