13,277 research outputs found
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 , 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, and the larger C,
C, C, C, and C 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 -electron space becoming
polyradical in nature: each -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
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 , 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 electron systems, display
features beyond a simple quasiparticle distribution, as well as spin-charge
separation trends.Comment: 16 pages, 11 figure
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