Related papers: Self-consistent Spectral Function for Non-Degenera…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
We study the thermal and non-thermal steady state scaling functions and the steady-state dynamics of a model of local quantum criticality. The model we consider, i.e. the pseudogap Kondo model, allows us to study the concept of effective…
The second-order Green's function method (GF2) was shown recently to be an accurate self-consistent approach for electronic structure of correlated systems since the self-energy accounts for both the weak and some of the strong correlation.…
We investigate a one-dimensional quantum system with a self-similar arrangement of delta-function potential barriers, exhibiting discrete scale invariance. The singular potential induces kinematically enforced symmetry breaking at $x=0$,…
We present explicit expressions for the high-frequency asymptotic behavior of electron self-energy of general quantum impurity models, which may be useful for improving the convergence of dynamical mean-field calculations and for the…
A quantum-field approach to studying the Bose systems at finite temperatures and in states with spontaneously broken symmetry, in particular in a superfluid state, is proposed. A generalized model of a self-consistent field (SCF) for…
The method and status of a study to provide numerical, high-precision values of the self-energy level shift in hydrogen and hydrogen-like ions is described. Graphs of the self energy in hydrogen-like ions with nuclear charge number between…
We describe a finite-field approach to compute density response functions, which allows for efficient $G_0W_0$ and $G_0W_0\Gamma_0$ calculations beyond the random phase approximation. The method is easily applicable to density functional…
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…
We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we determine the Coulomb potential given as the functional…
It is shown that the energy $(\varepsilon)$ and momentum $(k)$ dependences of the electron self-energy function $ \Sigma (k, \varepsilon + i0) \equiv \Sigma^{R}(k, \varepsilon) $ are, $ {\rm Im} \Sigma^{R} (k, \varepsilon) =…
We formulate the Kohn-Sham density functional theory (KS-DFT) as a statistical theory in which the electron density is deter-mined from an average of correlated stochastic densities in a trace formula. The key idea is that it is sufficient…
The self-consistent quasiparticle random-phase approximation (QRPA) approach is formulated in the canonical single-nucleon basis of the relativistic Hatree-Fock-Bogoliubov (RHFB) theory. This approach is applied to study the isobaric analog…
The $GW$ approximation is a widely used method for computing electron addition and removal energies of molecules and solids. The computational effort of conventional $GW$ algorithms increases as $O(N^4)$ with the system size $N$, hindering…
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sham (KS) equations of density functional theory (DFT), with a focus on functionals based on the strictly-correlated electrons (SCE) regime,…
The self-energy, spectral functions and susceptibilities of 2D systems with strong ferromagnetic fluctuations are considered within the quasistatic approach. The self-energy at low temperatures T has a non-Fermi liquid form in the energy…
We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…
The self-similarity in space and time (hereafter self-similarity), either deterministic or statistical, is characterized by similarity exponents and a function of scaled variable, called the scaling function. In the present paper, we…
Two self-consistent schemes involving Hedin's $GW$ approximation are studied for a set of sixteen different atoms and small molecules. We compare results from the fully self-consistent $GW$ approximation (SC$GW$) and the quasi-particle…
Thermal Wave Model is used to study the strong self-consistent Plasma Wake Field interaction (transverse effects) between a strongly magnetized plasma and a relativistic electron/positron beam travelling along the external magnetic field,…