A cluster-based mean-field and perturbative description of strongly correlated fermion systems. Application to the 1D and 2D Hubbard model

We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over optimized cluster states. The optimization of the single-particle basis where the cluster mean-field is expressed is crucial in order to obtain high-quality results. The mean-field nature of the ansatz allows us to formulate a perturbative approach to account for inter-cluster correlations; other traditional many-body strategies can be easily devised in terms of the cluster states. We present benchmark calculations on the half-filled 1D and (square) 2D Hubbard model, as well as the lightly-doped regime in 2D, using cluster mean-field and second-order perturbation theory. Our results indicate that, with sufficiently large clusters or to second-order in perturbation theory, a cluster-based approach can provide an accurate description of the Hubbard model in the considered regimes. Several avenues to improve upon the results presented in this work are discussed.Comment: 22 pages, 21 figure

Radiative decays of dynamically generated charmed baryons

In this work we study the radiative decay of dynamically generated J^P=\oh^- charm baryons into the ground state J^P=\oh^+ baryons. Since different theoretical interpretations of these baryonic resonances, and in particular of the $\Lambda_c(2595)$, give different predictions, a precise experimental measurement of these decays would be an important step for understanding their nature.Comment: 10 pages, 1 figur

Polyradical character and spin frustration in fullerene molecules: An ab initio non-collinear Hartree--Fock study

Most {\em ab initio} calculations on fullerene molecules have been carried out based on the paradigm of the H\"uckel model. This is consistent with the restricted nature of the independent-particle model underlying such calculations, even in single-reference-based correlated approaches. On the other hand, previous works on some of these molecules using model Hamiltonians have clearly indicated the importance of short-range inter-atomic spin-spin correlations. In this work, we consider {\em ab initio} non-collinear Hartree--Fock (HF) solutions for representative fullerene systems: the bowl, cage, ring, and pentagon isomers of C$_{20}$, and the larger C$_{30}$, C$_{36}$, C$_{60}$, C$_{70}$, and C$_{84}$ fullerene cages. In all cases but the ring we find that the HF minimum corresponds to a truly non-collinear solution with a torsional spin density wave. Optimized geometries at the generalized HF (GHF) level lead to fully symmetric structures, even in those cases where Jahn-Teller distortions have been previously considered. The nature of the GHF solutions is consistent with the $\pi$-electron space becoming polyradical in nature: each $p$-orbital remains effectively singly occupied. The spin frustration, induced by the pentagon rings in an otherwise anti-ferromagnetic background, is minimized at the HF level by aligning the spins in non-collinear arrangements. The long-range magnetic ordering observed is reminiscent of the character of broken symmetry HF solutions in polyacene systems.Comment: 16 figure

Dynamically generated open charmed baryons beyond the zero range approximation

The interaction of the low lying pseudo-scalar mesons with the ground state baryons in the charm sector is studied within a coupled channel approach using a t-channel vector-exchange driving force. The amplitudes describing the scattering of the pseudo-scalar mesons off the ground-state baryons are obtained by solving the Lippmann--Schwinger equation. We analyze in detail the effects of going beyond the $t=0$ approximation. Our model predicts the dynamical generation of several open charmed baryon resonances in different isospin and strangeness channels, some of which can be clearly identified with recently observed states.Comment: 7 figures, 8 table

Multi-reference symmetry-projected variational approximation for the ground state of the doped one-dimensional Hubbard model

A multi-reference configuration mixing scheme is used to describe the ground state, characterized by well defined spin and space group symmetry quantum numbers as well as doping fractions $N_{e}/N_{sites}$, of one dimensional Hubbard lattices with nearest-neighbor hopping and periodic boundary conditions. Within this scheme, each ground state is expanded in a given number of nonorthogonal and variationally determined symmetry-projected configurations. The results obtained for the ground state and correlation energies of half-filled and doped lattices with 30, 34 and 50 sites, compare well with the exact Lieb-Wu solutions as well as with the ones obtained with other state-of-the-art approximations. The structure of the intrinsic symmetry-broken determinants resulting from the variational procedure is interpreted in terms of solitons whose translational and breathing motions can be regarded as basic units of quantum fluctuations. It is also shown that in the case of doped 1D lattices, a part of such fluctuations can also be interpreted in terms of polarons. In addition to momentum distributions, both spin-spin and density-density correlation functions are studied as functions of doping. The spectral functions and density of states, computed with an ansatz whose quality can be well-controlled by the number of symmetry-projected configurations used to approximate the $N_{e} \pm 1$ electron systems, display features beyond a simple quasiparticle distribution, as well as spin-charge separation trends.Comment: 16 pages, 11 figure