Related papers: Beyond the quasiparticle approximation: Fully self…
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and…
We demonstrate that to calculate the self-energy of a heavy quark in the heavy quark limit (or the heavy fermion limit in what is called the Baryon Chiral Perturbation Theory), the use of standard dimensional regularization provides only…
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in…
It is shown that by means of the approach based on the Quantum Hamilton-Jacobi equation, it is possible to modify the WKB expressions for the energy levels of quantum systems, when incorrect, obtaining exact WKB-like formulae. This extends…
The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficulty in computing the inverse dielectric matrix. To address…
We present quasiparticle self-consistent GW (QSGW) calculations of semimetallic bulk Bi. We go beyond the conventional QSGW method by including the spin-orbit coupling throughout the self-consistency cycle. This approach improves the…
We solve the Dyson equation for atoms and diatomic molecules within the GW approximation, in order to elucidate the effects of self-consistency on the total energies and ionization potentials. We find GW to produce accurate energy…
We provide a brief introduction to the high density effective theory of QCD. As an application, we consider the instanton correction to the perturbatively generated gap in the color superconducting phase. We show that the instanton…
First-principles calculations rely heavily on pseudopotentials, yet their impact on accuracy is hardly addressed. In this work, we show that most pseudopotentials to date introduce errors, which manifest themselves as errors of atomic…
Methods of bound-state QED that treat the self-energy contributions to the Lamb shift within the partial-wave expansion usually face the problem of slow convergence of the latter. Inspired by an approach formulated in [J. Sapirstein and K.…
The $GW$ approximation has become a method of choice for predicting quasiparticle properties in solids and large molecular systems, owing to its favorable accuracy-cost balance. However, its accuracy is the result of a fortuitous…
We present a many-body $GW$ formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab initio random phase approximation level. Our approach is…
We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…
We show that the position and width of the plasmon resonance in Silver are correctly predicted by ab--initio calculations including self--energy effects within the GW approximation. Unlike in simple metals and semiconductors, quasiparticle…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
Through variational Monte Carlo calculation on Gutzwiller projected wave functions, we study the quasiparticle(qp) weight for adding and removing an electron from a high temperature superconductor. We find the qp weight is particle-hole…
Quantum error correction (QEC) is a crucial step towards long coherence times required for efficient quantum information processing (QIP). One major challenge in this direction concerns the fast real-time analysis of error syndrome…
Limitations of the Quasiparticle Random Phase Approximation (QRPA) are studied within an exactly solvable model, with a two body interaction of Fermi type. A special attention is paid to the violation of the Pauli exclusion principle (PEP)…
This paper describes an all-electron implementation of the self-consistent GW (sc-GW) approach -- i.e. based on the solution of the Dyson equation -- in an all-electron numeric atom-centered orbital (NAO) basis set. We cast Hedin's…
The contour integrals, occurring in the arbitrary-order phase-integral quantization conditions given in a previous paper, are in the first- and third-order approximations expressed in terms of complete elliptic integrals in the case that…