相关论文: Examining the Impact of Local Condition Violations…

Ensuring accurate violation detection in power systems is paramount for operational reliability. This paper introduces an enhanced voltage recovery violation index (EVRVI), a comprehensive index designed to quantify fault-induced delayed…

Methods for correcting residual energy errors of configuration interaction (CI) calculations of molecules and other electronic systems are discussed based on the assumption that the energy defect can be mapped onto atomic regions. The…

Over several decades, electromechanical impedance (EMI) measurements have been employed as a basis for structural health monitoring and damage detection. Traditionally, Root-mean-squared-deviation (RMSD) and Cross-correlation (XCORR) based…

Lorentz symmetry violation (LV) was recently proposed to be testable with a new method, in which the effect of the violation is described as a certain local interaction [R. Shaniv, et al, PRL 120, 103202 (2018)]. We revisit this LV effect…

Thermal equations of state (EoS) are essential in several scientific domains. However, experimental determination of EoS parameters may be limited at extreme conditions, therefore, {\it ab~initio} calculations have become an important…

Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…

The description of electronic exchange--correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent Letter, Dornheim \textit{et al.} [\textit{Phys. Rev. Lett.}~\textbf{125}, 235001…

We investigate the numerical accuracy of the extended Koopmans's theorem (EKT) in reproducing the full configuration interaction (FCI) and complete active-space configuration interaction (CAS-CI) ionization energies (IEs) of atomic and…

Effective Field Theory (EFT) is a general framework to parametrize the low-energy approximation to a UV model that is widely used in model-independent searches for new physics. The use of EFTs at the LHC can suffer from a 'validity' issue,…

It has long been postulated that within density-functional theory (DFT) the total energy of a finite electronic system is convex with respect to electron count, so that 2 E_v[N_0] <= E_v[N_0 - 1] + E_v[N_0 + 1]. Using the…

Extended Floating Gate Field Effect Transistors (EGFETs) are CMOS-compatible floating gate devices capable of detecting charges on their sensing area by the relative shifts in current-voltage (I-V) characteristics. The I-V shifts are…

We introduce a new variational inference (VI) framework, called energetic variational inference (EVI). It minimizes the VI objective function based on a prescribed energy-dissipation law. Using the EVI framework, we can derive many existing…

Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density functional theory (DFT) calculations. However, there has been…

Ensemble density functional theory (EDFT) is a promising alternative to time-dependent density functional theory for computing electronic excitation energies. Using coordinate scaling, we prove several fundamental exact conditions in EDFT…

Non-standard neutrino interactions (NSIs), the sub-leading effects in the flavour transitions of neutrinos, play a crucial role in the determination of the various unknowns in neutrino oscillations, such as neutrino mass hierarchy, Dirac CP…

This manuscript presents verification cases that are developed to study the electrothermal instability (ETI). Specific verification cases are included to ensure that the unit physics components necessary to model the ETI are accurate,…

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

Smart distribution grid with multiple renewable energy sources can experience random voltage fluctuations due to variable generation, which may result in voltage violations. Traditional voltage control algorithms are inadequate to handle…

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

In this study equilibrium isotope effects (EIEs) on evaporation to several organic solvents (bromobenzene, dibromomethane, ethanol, methanol, and trichloromethane) in the pure phase are estimated employing Kohn-Sham Density functional…