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Construction of linearly independent non-orthogonal AGP states
Published 22 Jan 2021 in physics.chem-ph and cond-mat.str-el | (2101.08911v2)
Abstract: We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us to rewrite our recently introduced geminal replacement models as linear combinations of non-orthogonal AGPs. This greatly simplifies the evaluation of matrix elements and permits us to introduce an AGP-based selective configuration interaction method, which can reach arbitrary excitation levels relative to a reference AGP, balancing accuracy and cost as we see fit.
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