M. Van Raemdonck

The coefficients of full configuration interaction wave functions (FCI) for N-electron systems expanded in N-electron Slater determinants depend on the orthonormal one-particle basis chosen although the total energy remains invariant. Some bases result in more compact wave functions, i.e. result in fewer determinants with significant expansion coefficients. In this work, the Shannon entropy, as a measure of information content, is evaluated for such wave functions to examine whether there is a relationship between the FCI Shannon entropy of a given basis and the performance of that basis in truncated CI approaches. The results obtained for a set of randomly picked bases are compared to those obtained using the traditional canonical molecular orbitals, natural orbitals, seniority minimising orbitals and a basis that derives from direct minimisation of the Shannon entropy. FCI calculations for selected atomic and molecular systems clearly reflect the influence of the chosen basis. However, it is found that there is no direct relationship between the entropy computed for each basis and truncated CI energies.

Starting from integrable su(2) (quasi-)spin Richardson–Gaudin (RG) XXZ models we derive several properties of integrable spin models coupled to a bosonic mode. We focus on the Dicke–Jaynes–Cummings–Gaudin models and the two-channel (p + ip)-wave pairing Hamiltonian. The pseudo-deformation of the underlying su(2) algebra is here introduced as a way to obtain these models in the contraction limit of different RG models. This allows for the construction of the full set of conserved charges, the Bethe ansatz state, and the resulting RG equations. For these models an alternative and simpler set of quadratic equations can be found in terms of the eigenvalues of the conserved charges. Furthermore, the recently proposed eigenvalue-based determinant expressions for the overlaps and form factors of local operators are extended to these models, linking the results previously presented for the Dicke–Jaynes–Cummings–Gaudin models with the general results for RG XXZ models.

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We propose an extension of the numerical approach for integrable Richardson-Gaudin models based on a new set of eigenvalue-based variables [A. Faribault et al., Phys. Rev. B 83, 235124 (2011); O. El Araby et al., Phys. Rev. B 85, 115130 (2012)]. Starting solely from the Gaudin algebra, the approach is generalized towards the full class of XXZ Richardson-Gaudin models. This allows for a fast and robust numerical determination of the spectral properties of these models, avoiding the singularities usually arising at the so-called singular points. We also provide different determinant expressions for the normalization of the Bethe ansatz states and form factors of local spin operators, opening up possibilities for the study of larger systems, both integrable and nonintegrable. These expressions can be written in terms of the new set of variables and generalize the results previously obtained for rational Richardson-Gaudin models [A. Faribault and D. Schuricht, J. Phys. A 45, 485202 (2012)] and Dicke-Jaynes-Cummings-Gaudin models [H. Tschirhart and A. Faribault,  J. Phys. A 47, 405204 (2014)]. Remarkably, these results are independent of the explicit parametrization of the Gaudin algebra, exposing a universality in the properties of Richardson-Gaudin integrable systems deeply linked to the underlying algebraic structure.

Pairing correlations in the even-even A = 102 − 130 Sn isotopes are discussed, based on the Richardson-Gaudin variables in an exact Woods-Saxon plus reduced BCS pairing framework. The integrability of the model sheds light on the pairing correlations, in particular on the previously reported sub-shell structure.