Related papers: A Guide to Molecular Properties from the Bethe-Sal…
The $GW$ approximation has recently gained increasing attention as a viable method for the computation of deep core-level binding energies as measured by X-ray photoelectron spectroscopy (XPS). We present a comprehensive benchmark study of…
A new method of solution of the Bethe-Salpeter equation for a pseudoscalar quark-antiquark bound state is proposed. With the help of an integral representation, the results are directly obtained in Minkowski space. Dressing of Green's…
We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related…
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.…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
In order to realize the significant potential of optical materials such as metal halides, computational techniques which give accurate optical properties are needed, which can work hand-in-hand with experiments to generate high efficiency…
Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…
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…
We propose a microscopic approach describing the interaction of an ideal gas of hydrogenlike atoms with a weak electromagnetic field. This approach is based on the Green-function formalism and an approximate formulation of the method of…
We explore skewed parton distributions for two-body, light-front wave functions. In order to access all kinematical regimes, we adopt a covariant Bethe-Salpeter approach, which makes use of the underlying equation of motion (here the…
A novel self-consistent implementation of Hedin's GW perturbation theory is introduced. This finite-temperature method uses Hartree-Fock wave functions to represent Green's function. GW equations are solved with full potential linear…
We present theoretical calculations of quasiparticle energies in closed-shell molecules using the GW method. We compare three different approaches: a full-frequency $G_0W_0$ (FF-$G_0W_0$) method with density functional theory (DFT-PBE) used…
Using the method of Green's functions within the framework of a Bethe-Salpeter formalism characterized by a pairwise $qq$ interaction with a 3D support to its kernel (expressed in a Lorentz-covariant manner), the 4D BS wave function for a…
The Bethe-Salpeter formalism in the instantaneous approximation for the interaction kernel entering into the Bethe-Salpeter equation represents a reasonable framework for the description of bound states within relativistic quantum field…
Electronic excitations and optical spectra of $CdF_{2}$ are calculated up to ultraviolet employing state-of-the-art techniques based on density functional theory and many-body perturbation theory. The GW scheme proposed by Hedin has been…
Due to the infinite summation of bubble diagrams, the $GW$ approximation of Green's function perturbation theory has proven particularly effective in the weak correlation regime, where this family of Feynman diagrams is important. However,…
The Bethe--Salpeter equations for the quark-antiquark composite systems with different quark masses, such as $q\bar s$ (with $q=u$,$d$), $q\bar Q$ and $s \bar Q$ (with $Q=c$,$b$), are written in terms of spectral integrals. For the mesons…
We study the nucleon at finite temperature using Bethe-Salpeter equation (BSE) where it is considered as a bound state of a scalar-diquark and a quark. The interaction between the diquark and the quark is taken as an exchange quark.The…
Reporting extensions of a recently developed approach to density functional theory with correct long-range be-havior (Phys. Rev. Lett. 94, 043002 (2005)). The central quantities are a splitting functional gamma[n] and a complementary…
I review single-molecule experiments (SME) in biological physics. Recent technological developments have provided the tools to design and build scientific instruments of high enough sensitivity and precision to manipulate and visualize…