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physics.chem-ph2022
2D-Block Geminals: a non 1-orthogonal and non 0-seniority model with reduced computational complexity
Patrick Cassam-Chenaï, Thomas Perez, Davide Accomasso
We present a new geminal product wave function ansatz where the geminals are not constrained to be strongly orthogonal nor to be of seniority zero. Instead, we introduce weaker ort…
physics.chem-ph2017
Generalization of the concepts of seniority number and ionicity
Thomas Perez, Patrick Cassam-Chenaï
We present generalized versions of the concepts of seniority number and ionicity. These generalized numbers count respectively the partially occupied and fully occupied shells for…