相关论文: Construction of the spectral function from non-com…
Quantum Monte Carlo simulations of interacting electrons in solids often use Slater-Jastrow trial wave functions with Jastrow factors containing one- and two-body terms. In uniform systems the long-range behavior of the two-body term may be…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…
A model for nonequilibrium dynamical mean-field theory is constructed for the infinite dimensional Hubbard lattice. We impose nonequilibrium by expressing the physical orbital as a superposition of a left-($L$) moving and right-($R$) moving…
A first-principles computational method with self-consistent on-site and inter-site Hubbard functionals is able to treat local and non-local Coulomb interactions on an equal footing. To apply the method to understand solids with strong…
We present one inherent shortcoming of the LDA+U method in respect of its self-interaction correction of the LDA. By reexamining the mean-field approximation on the Hubbard energy in the Hartree-Fock form, we have derived a new expression…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
Combining the density functional theory (DFT) and the Gutzwiller variational approach, a LDA+Gutzwiller method is developed to treat the correlated electron systems from {\it ab-initio}. All variational parameters are self-consistently…
We describe a density-functional method which aims at computing the ground state electron density and the spectral function at the same time. One basic ingredient of our method is the construction of the spectral function from the first…
At high temperature the infrared modes of a weakly coupled quantum field theory can be treated nonperturbatively in real time using the classical field approximation. We use this to introduce a nonperturbative approach to the calculation of…
Self-consistent Hartree-Fock approximation combined with solutions of the Bethe-Salpeter equation offers a powerful tool for studies of strong correlation effects arising in condensed matter models, nuclear physics, quantum field theories,…
The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an…
Here the line shape of the up- and down-spin one-particle spectral functions at and in the (k,energy)-plane's vicinity of their cusp singularities is studied for the Mott-Hubbard insulator described by the 1D Hubbard model with one fermion…
Spectral properties of the two-dimensional Bose-Hubbard model, which emulates ultracold gases of atoms confined in optical lattices, are investigated by means of the variational cluster approach. The phase boundary of the quantum phase…
In this work we reexamine the LDA+U method of Anisimov and coworkers in the framework of a plane-wave pseudopotential approach. A simplified rotational-invariant formulation is adopted. The calculation of the Hubbard U entering the…
The spectral curve of quasinormal modes for a massive real scalar field in the background of a non-conformal black brane geometry has been obtained by utilizing a Frobenius type near-horizon expansion. The gauge/gravity duality maps this to…
We calculate the single-particle spectral function for the one-band Bose-Hubbard model within the random phase approximation (RPA). In the strongly correlated superfluid, in addition to the gapless phonon excitations, we find extra gapped…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure…
We investigate the possibility of using a transcorrelated Hamiltonian to describe electron correlation. Amethod to obtain transcorrelatedwavefunctionswas developed based on the mathematical framework of the bi-variational principle. This…
We derive expressions for the zeroth and the first three spectral moment sum rules for the retarded Green's function and for the zeroth and the first spectral moment sum rules for the retarded self-energy of the inhomogeneous Bose-Hubbard…