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Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field

Eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian, Richardson-Gaudin (RG) states, are used as a variational wavefunction Ansatz for strongly-correlated electronic systems. These states are geminal products whose coefficients are solutions of non-linear equations. Previous results showed un-physical behaviour but in this contribution it is shown that with only the variational solution for the ground state, all the seniority-zero states are quite well approximated. The difficulty is in choosing the correct RG state. The systems studied showed a clear choice and we expect it should always be possible to reason physically which state to choose.

preprint2022arXivOpen access
Charles-Émile FecteauSamuel CloutierJean-David MoissetJérémy BoulayPatrick BultinckAlexandre FaribaultPaul A. Johnson
cond-mat.str-elphysics.chem-ph
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Charles-Émile FecteauSamuel CloutierJean-David MoissetJérémy BoulayPatrick BultinckAlexandre FaribaultPaul A. Johnson

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