On the off-diagonal Wick’s theorem and Onishi formula

Abstract

The projected generator coordinate method based on the configuration mixing of non-orthogonal Bogoliubov product states, along with more advanced methods based on it, require the computation of off-diagonal Hamiltonian and norm kernels. While the Hamiltonian kernel is efficiently computed via the off-diagonal Wick theorem of Balian and Brezin, the norm kernel relies on the Onishi formula (or equivalently the Pfaffian formula by Robledo or the integral formula by Bally and Duguet). Traditionally, the derivation of these two categories of formulae relies on different formal schemes. In the present work, the formulae for the operator and norm kernels are computed consistently from the same diagrammatic method. The approach further offers the possibility to address kernels involving more general states in the future.