Construction of linearly independent non-orthogonal AGP states
نویسندگان
چکیده
We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us rewrite our recently introduced replacement models as linear combinations non-orthogonal AGPs. This greatly simplifies the evaluation matrix elements and permits introduce an AGP-based selective configuration interaction method, can reach arbitrary excitation levels relative reference AGP, balancing accuracy cost we see fit.
منابع مشابه
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ژورنال
عنوان ژورنال: Journal of Chemical Physics
سال: 2021
ISSN: ['1520-9032', '1089-7690', '0021-9606']
DOI: https://doi.org/10.1063/5.0045006