Related papers: Self-consistent vertex corrected $GW$ with static …
We adopt a broken-symmetry strategy for evaluating effective magnetic constants $J$ within the fully self-consistent GW method. To understand the degree of spin contamination present in broken-symmetry periodic solutions, we propose several…
We introduce Tempered Geodesic Markov Chain Monte Carlo (TG-MCMC) algorithm for initializing pose graph optimization problems, arising in various scenarios such as SFM (structure from motion) or SLAM (simultaneous localization and mapping).…
Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…
The intrinsic conformality is a general property of the renormalizable gauge theory, which ensures the scale-invariance of a fixed-order series at each perturbative order. Following the idea of intrinsic conformality, we suggest a novel…
We evaluate the performances of ab initio GW calculations for the ionization energies and HOMO-LUMO gaps of thirteen gas phase molecules of interest for organic electronic and photovoltaic applications, including the C60 fullerene,…
Scale-mixture shrinkage priors have recently been shown to possess robust empirical performance and excellent theoretical properties such as model selection consistency and (near) minimax posterior contraction rates. In this paper, the…
The $GW$ approximation has been recently gaining popularity among the method for simulating molecular core-level X-ray photoemission spectra. Traditionally, $GW$ core-level binding energies have been computed using either the cc-pV$n$Z or…
The stochastic resolution of identity (sRI) approximation significantly reduces the computational scaling of CC2 from O(N^5) to O(N^3), where N is a measure of system size. However, the inherent stochastic noise, while controllable, can…
Optimized measurements for the susceptibility, self-energy, as well as three-leg and four-leg vertex functions are introduced for the continuous-time hybridization expansion quantum Monte Carlo solver for the impurity model in presence of a…
Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW^0-method for the dynamical self-energy is…
In recent years, low-rank based tensor completion, which is a higher-order extension of matrix completion, has received considerable attention. However, the low-rank assumption is not sufficient for the recovery of visual data, such as…
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 present a theoretical framework and implementation details for self-energy embedding theory (SEET) with the GW approximation for the treatment of weakly correlated degrees of freedom and configuration interactions solver for handing the…
While recent work on conjugate gradient methods and Lanczos decompositions have achieved scalable Gaussian process inference with highly accurate point predictions, in several implementations these iterative methods appear to struggle with…
The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional.…
Over the years, Hedin's $GW$ self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules. Attempts to improve over the simple $GW$ approximation, the…
The parquet formalism and Hedin's $GW\gamma$ approach are unified into a single theory of vertex corrections, corresponding to an exact reformulation of the parquet equations in terms of boson exchange. The method has no drawbacks compared…
Two state-of-the-art computational approaches: quantum Monte Carlo (QMC), based on accurate total energies, and GW with exciton effects (GW-BSE), based on perturbation theory are employed to calculate ionization potentials, electron…
Push-Sum-based decentralized learning enables optimization over directed communication networks, where information exchange may be asymmetric. While convergence properties of such methods are well understood, their finite-iteration…
In this Thesis we have investigated some effects appearing in top quark observables in the framework of the Minimal Supersymmetric Standard Model (MSSM). We have computed the radiative corrections to some top quark observables, using the…