Related papers: Bridging the size gap between density-functional a…
Obtaining a precise form for the predicted gravitational wave (GW) spectrum from a phase transition is a topic of great relevance for beyond Standard Model (BSM) physicists. Currently, the most sophisticated semi-analytic framework for…
We study the accuracy of analytical wave function based many-body methods derived by energy minimization of a Jastrow-Feenberg ansatz for electrons (`Fermi hypernetted chain / Euler Lagrange' approach). Approximations to avoid the…
The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…
The evolution of the centre-of-mass wave-function for a mesoscopic particle according to the Schr\"odinger-Newton equation can be approximated by a harmonic potential, if the wave-function is narrow compared to the size of the particle. It…
Gravitational-wave observations of quasicircular compact binary mergers imply complicated posterior measurements of their parameters. Though Gaussian approximations to the pertinent likelihoods have decades of history in the field, the…
Within many-body perturbation theory we apply vertex corrections to various closed-shell atoms and to jellium, using a local approximation for the vertex consistent with starting the many-body perturbation theory from a DFT-LDA Green's…
We present a calculation of the spectral properties of a single charge doped at a Cu($3d$) site of the Cu-F plane in KCuF$_{3}$. The problem is treated by generating the equations of motion for the Green's function by means of subsequent…
An $\hbar$-expansion is presented for the ensemble-averaged spectral function of noninteracting matter waves in random potentials. We obtain the leading quantum corrections to the deep classical limit at high energies by the Wigner-Weyl…
It is shown that, for a Hamiltonian with a band structure, the half width of local spectral density of states, or strength function, is closely related to the width of the nonperturbative (NPT) parts of energy eigenfunctions. In the…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
We present a diagrammatic approach to construct self-energy approximations within many-body perturbation theory with positive spectral properties. The method cures the problem of negative spectral functions which arises from a…
We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding…
We benchmark many-body perturbation theory against density functional theory (DFT) for the band gaps of solids. We systematically compare four $GW$ variants $-$ $G_{0}W_{0}$ using the Godby-Needs plasmon-pole approximation…
A method, recently devised to obtain analytical approximations to certain classes of integrals, is used in combination with the WKB expansion to derive accurate analytical expressions for the spectrum of quantum potentials. The accuracy of…
We present an extension of the quasiparticle self-consistent $GW$ approximation (QS$GW$) [Phys. Rev. B, 76 165106 (2007)] to include vertex corrections in the screened Coulomb interaction $W$. This is achieved by solving the Bethe-Salpeter…
The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…
We propose and study a new quasi-interpolation method on spheres featuring the following two-phase construction and analysis. In Phase I, we analyze and characterize a large family of zonal kernels (e.g., the spherical version of Poisson…
We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…
The $GW$ approximation is a widely used framework for studying correlated materials, but it struggles with certain limitations, such as its inability to explain pseudogap phenomena. To overcome these problems, we propose a systematic…