Related papers: One-step approach to ARPES from strongly correlate…
A system of equations resulting from an approximation of the equation of motion of Green functions for correlated electron systems is usually solved using Matsubara technique. In this work we propose an alternative method which works…
We study a two-band Hubbard model in the limit of infinite dimensions, using a combination of analytical methods and Monte-Carlo techniques. The normal state is found to display various metal to insulators transitions as a function of…
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…
A versatile method for angle-resolved photoemission spectra (ARPES) calculations is reported within the one-step model of photoemission. The initial states are obtained from a repeated-slab calculation using the projector-augmented wave…
We use the moment approach of Nolting (exact sum rules) (Z. Physik 255, 25 (1972)) for the attractive Hubbard model in the superconducting phase. Our diagonal and off - diagonal spectral functions are constructed and evaluated with the sum…
The one-electron density of states for the half-filled Hubbard model on a triangular lattice is studied as a function of both temperature and Hubbard U using Quantum Monte Carlo. We find three regimes: (1) a strong-coupling Mott-Hubbard…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
Angle-resolved photoemission spectroscopy (ARPES) measures the interference of dipole allowed Coulomb wavelets from the individual orbital emitters that contribute to an electronic band. If Coulomb scattering of the outgoing electron is…
The one-step model of valence-band photoemission and inverse photoemission from single-crystal surfaces is reformulated for generalized (non-local, complex and energy-dependent) potentials. Thereby, it becomes possible to account for…
Strongly correlated electrons systems may exhibit a variety of interesting phenomena, for instance, superconductivity and pseudogap, as is the case of cuprates and pnictides. In strongly correlated electron systems, it is considered…
We demonstrate that photoconductivity of pristine rubrene crystals exhibits several distinct regimes, in which photocurrent as a function of cw (continuous wave) excitation intensity is described by a power law with exponents sequentially…
Equations for the electron Green's function of the two-dimensional Hubbard model, derived using the strong coupling diagram technique, are self-consistently solved for different electron concentrations $n$ and tight-binding dispersions.…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…
The determination of ultra-long-range molecular potential curves has been reformulated using the Coulomb Greens function to give a solution in terms of the roots of an analytical determinantal equation. For a system consisting of one…
We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…
A new method for the analysis of the scattering rates from angle-resolved photoelectron spectroscopy (ARPES) is presented and described in details. It takes into account experimental instrumental resolution and finite temperature effects.…
Superconductivity in the t-J model is studied by extending the recently introduced extremely correlated fermi liquid theory. Exact equations for the Greens functions are obtained by generalizing Gor'kov's equations to include extremely…
We present a general ab initio method based on Wannier functions using the covariant derivative for simulating the photocurrent in solids. The method is widely applicable to charge/spin DC and AC photocurrent at any perturbation levels in…
Two-particle generalized susceptibilities and their irreducible vertex functions play a prominent role in the quantum many-body theory for correlated electron systems. They act as basic building blocks in the parquet formalism which…
The method of generating functional is generalized to the case of strongly correlated systems, and applied to the Hubbard model. For the electronic Green's function constructed for Hubbard operators, an equation using variational…