相关论文: Correlation consistent effective core potentials f…
In this work we have studied a new functional for the correlation energy obtained from the exact-exchange (EXX) approximation within time-dependent density functional theory (TDDFT). Correlation energies have been calculated for a number of…
The strong coupling Eliashberg theory plus vertex correction is used to calculate maps of transition temperature (Tc) in parameter-space characterizing superconductivity. Based on these Tc maps, crossover behaviors are found when…
We investigate coherent-elastic neutrino-nucleus scattering ($CE\nu NS$) in 3-3-1 models for different values of $\beta$ in which $\beta$ is a parameter used to define the charge operator of the 331 models. We show that the number of events…
In this Letter, we study the collinear limit of the Energy-Energy Correlator (EEC) in single-inclusive jet production in proton-proton ($pp$) and proton-nucleus ($pA$) collisions. We introduce a non-perturbative model that allows us to…
The nucleon energy-energy correlator (NEEC) was proposed in 2209.02080 as a new way of studying nucleon intrinsic dynamics. In this work, we present a detailed derivation of the factorization theorem that enables the measurement of the…
We present a general numerical approach to construct local Kohn-Sham potentials from orbital-dependent functionals within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method, in which core and valence electrons…
A robust potential wherein is embedded the crucial core polarization interaction is used in the Regge Pole methodology to calculate low energy electron elastic scattering total cross section (TCS) for the C60 fullerene in the electron…
The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$, namely, Rg, Cn, Nh, and Fl are reexamined using the relativistic Fock-space coupled-cluster method with…
We present a new density-functional method of the self-consistent electronic-structure calculation which does not exploit any local density approximations (LDA). We use the exchange-correlation energy which consists of the exact exchange…
The first-ever measurement of energy correlators within inclusive jets produced in heavy-ion collisions, revealed by the CMS Collaboration, shows a clear enhancement at large angles relative to the proton-proton (p-p) baseline. However,…
Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inadequate description of electron correlation remains a…
We recently showed that dispersion-correcting potentials (DCPs), atom-centered Gaussian-type functions developed for use with B3LYP (J. Phys. Chem. Lett. 2012, 3, 1738-1744) greatly improved the ability of the underlying functional to…
We consider the Energy-Energy Correlation (EEC) function in high-energy electron-positron annihilation to hadrons. In the back-to-back (two-jet) region, we perform the all-order resummation of the logarithmically-enhanced contributions in…
Quantum error correction (QEC) is often implemented on hardware that experiences biased noise, where dephasing errors occur more frequently than other errors. This has motivated many recent efforts to develop bias-tailored QEC codes, such…
We discuss a concept denoted as Conformal Prediction (CP) in this paper. While initially stemming from the world of machine learning, it was never applied or analyzed in the context of short-term electricity price forecasting. Therefore, we…
The correlation calculation of the electronic structure of PbH is carried out with the Generalized Relativistic Effective Core Potential (GRECP) and MultiReference single- and Double-excitation Configuration Interaction (MRD-CI) methods.…
Fluctuations of conserved charges provide a link between high quality theoretical results and precision measurements of heavy ion collisions. We compare results for ratios of the lowest order baryon number susceptibilities from functional…
Striving to define very accurate vertical transition energies, we perform both high-level coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction (sCI) calculations (up to several millions of determinants)…
New, high-precision measurements of the 3He(e,e'p) reaction using the A1 collaboration spectrometers at the Mainz microtron MAMI are presented. These were performed in parallel kinematics at energy transfers below the quasi-elastic peak,…
Thermoelectric devices can directly convert waste heat into electricity, which makes them an important clean energy technology. The underlying materials performance can be evaluated by the dimensionless figure of merit ZT. Metal halides are…