Abstract

We discuss some strategies for extending recent geminal-based methods to open-shells by replacing the geminal-creation operators with more general composite boson creation operators, and even creation operators that mix fermionic and bosonic components. We also discuss the utility of symmetry-breaking and restoration, but using a projective (not a variational) approach. Both strategies—either together or separately—give a pathway for extending geminals-based methods to open shells, while retaining the computational efficiency and conceptual simplicity of existing geminal product wavefunctions.

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