Related papers: The band gap problem: the accuracy of the Wien2k c…
The results of the development of an approximate approach, which can be considered as an analogue of the WKB method, are presented. This approach gives possibility to divide the electromagnetic field in structured waveguides into forward…
The performance of two modern density-functionals, HSE06 and TB-mBJ, on predicting electronic structures of metal oxides, chalcogenides and nitrides, is studied in terms of band gaps, band structure and projected density-of-states. Contrary…
The modified Becke-Johnson meta-GGA potential of density functional theory has been shown to be the best exchange-correlation potential to determine band gaps of crystalline solids. However, it cannot be consistently used for the electronic…
The LDA-1/2 method expands Slater's half occupation technique to infinite solid state materials by introducing a self-energy potential centered at the anions to cancel the energy associated with electron-hole self-interaction. To avoid an…
Ab-initio, self-consistent electronic energy bands of rutile TiO2 are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and ground state calculations employed a local density functional…
The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy convergence evaluation is carried out concerning energy…
The presently most accurate prediction for the W-boson mass in the Standard Model is obtained by combining the complete two-loop result with the known higher-order QCD and electroweak corrections. The numerical impact of the different…
In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional theory (DFT). We present a method using density functional…
The problem of coding for networks experiencing worst-case symbol errors is considered. We argue that this is a reasonable model for highly dynamic wireless network transmissions. We demonstrate that in this setup prior network…
The classical WKB method (also known as the WKBJ method, the LG method, or the phase integral method) for solving singularly perturbed linear differential equations has never, as far as we know, been looked at from the structured backward…
Multi-loop integrals can be evaluated numerically using Mellin-Barnes representations. Here this technique is applied to the calculation of electroweak two-loop correction with closed fermion loops for two observables: the effective weak…
In this work, we present novel Machine Learning and Differentiable Programming enhanced calibration techniques used to improve the energy resolution of the Silicon Drift Detectors (SDDs) of the VIP-2 underground experiment at the Gran Sasso…
Predicting the minimum operating voltage ($V_{min}$) of chips stands as a crucial technique in enhancing the speed and reliability of manufacturing testing flow. However, existing $V_{min}$ prediction methods often overlook various sources…
Scenarios for electroweak baryogenesis require an understanding of the effective potential at finite temperature near a first-order electroweak phase transition. Working in Landau gauge, we present a calculation of the dominant two-loop…
Energy band structures are calculated for the new superconductor MgB$_2$ and the related compounds by using the LDA and an FLAPW method. It is found that the strong three dimensional network in low-lying $\pi$ bands brings about two…
The Maximum Mean Discrepancy (MMD) has found numerous applications in statistics and machine learning, most recently as a penalty in the Wasserstein Auto-Encoder (WAE). In this paper we compute closed-form expressions for estimating the…
Quantum Key Distribution (QKD) schemes are key exchange protocols based on the physical properties of quantum channels. They avoid the computational-hardness assumptions that underlie the security of classical key exchange.…
We present analytic estimates of the performances of various approximate quantum error correction schemes for the generalized amplitude damping (GAD) qubit channel. Specifically, we consider both stabilizer and nonadditive quantum codes.…
We report results from an efficient, robust, ab-initio method for self-consistent calculations of electronic and structural properties of Ge. Our non-relativistic calculations employed a generalized gradient approximation (GGA) potential…
Theoretical studies of semiconductors and band insulators are usually based on variants of the $GW$ method without full self-consistency, like single-shot $G^0W^0$ or quasiparticle self-consistent $GW$. Fully self-consistent $GW$ provides a…