ABSTRACT
Seniority-zero geminal wavefunctions are known to capture bond-breaking correlation. Among this class of wavefunctions, Richardson-Gaudin states stand out as they are eigenvectors of a model Hamiltonian. This provides a clear physical picture, clean expressions for reduced density matrix (RDM) elements, and systematic improvement (with a complete set of eigenvectors). Known expressions for the RDM elements require the computation of rapidities, which are obtained by first solving for the so-called eigenvalue based variables (EBV) and then root-finding a Lagrange interpolation polynomial. In this paper, we obtain expressions for the RDM elements directly in terms of the EBV. The final expressions can be computed at the same cost as the rapidity expressions. Therefore, except, in particular, circumstances, it is entirely unnecessary to compute rapidities at all. The RDM elements require numerically inverting a matrix, and while this is usually undesirable, we demonstrate that it is stable, except when there is degeneracy in the single-particle energies. In such cases, a different construction would be required.
ABSTRACT
Eigenvectors of the reduced Bardeen-Cooper-Schrieffer (BCS) 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 an un-physical apparent avoided crossing in ground state dissociation curves for hydrogen chains. In this paper, it is shown that each seniority-zero state of the molecular Coulomb Hamiltonian corresponds directly to an RG state. However, the seniority-zero ground state does not correspond to the ground state of a reduced BCS Hamiltonian. The difficulty is in choosing the correct RG state. The systems studied showed a clear choice, and we expect that it should always be possible to reason physically which state to choose.
ABSTRACT
Using the algebraic Bethe ansatz in conjunction with a simple Monte Carlo sampling technique, we study the problem of the decoherence of a central spin coupled to a nuclear spin bath. We describe in detail the full crossover from strong to weak external magnetic field, a limit where a large nondecaying coherence factor is found. This feature is explained by Bose-Einstein-condensate-like physics which also allows us to argue that the corresponding zero frequency peak would not be broadened by statistical or ensemble averaging.