<br/>Methods based on anti-symmetrized geminal power (AGP) wave function have been explored for cases where the two-body part of an electronic Hamiltonian is dominant over the one-body part. AGP stands at the intersection of two concepts fundamental to chemistry and physics: symmetry and pairing of electrons. AGP is a product state of identical geminals or electron-pair building blocks, potentially capable of describing two-body interactions efficiently. It is also a particle number symmetry-projected state, thus related to superconductivity. We rediscover the potential of AGP as a better reference and many-electron basis than Slater determinants and address the challenges associated with formulating correlated methods based on AGP.

Geminal methods for challenging electronic structure problems

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ACS Fall 2022

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