Related papers: Effective core potentials as a pathway to self-int…
The integration on a single chip of the sensitivity-relevant electronics of nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectrometers is a promising approach to improve the limit of detection, especially for samples…
Consider the joint power and admission control (JPAC) problem for a multi-user single-input single-output (SISO) interference channel. Most existing works on JPAC assume the perfect instantaneous channel state information (CSI). In this…
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…
We discuss interaction of strongly correlated electrons (described within the Hubbard model solved by dynamical mean-field theory (DMFT)) with Debye and Einstein phonons using recently developed DMFT+Sigma computational scheme.…
The effective potential of the Standard Model (SM), from three loop order and higher, suffers from infra-red (IR) divergences arising from quantum effects due to massless would-be Goldstone bosons associated with the longitudinal…
Factual Error Correction (FEC) aims to revise inaccurate text into statements that are factually consistent with external evidence. Although recent methods perform well on single-hop correction, they often treat claims as atomic units and…
Hydrogenation of amorphous silicon (a-Si:H) is critical for reducing defect densities, passivating mid-gap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modelling the atomic scale structure…
Spiking neurons can perform spatiotemporal feature detection by nonlinear synaptic and dendritic integration of presynaptic spike patterns. Multicompartment models of non-linear dendrites and related neuromorphic circuit designs enable…
A physical realization of self correcting quantum code would be profoundly useful for constructing a quantum computer. In this theoretical work, we provide a partial solution to major challenges preventing self correcting quantum code from…
Effective field theories (EFTs) are widely used to study many-body systems by describing two-body interactions using zero-ranged contact potentials. However, when extended to three-body processes, these contact interactions lead to…
Aiming to combine density functional theory (DFT) and wavefunction theory, we study a mapping from the many-body interacting system to an effectively-interacting Kohn-Sham system instead of a non-interacting Kohn-Sham system. Because a…
We construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and f-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt,…
The efficiency of the recently proposed iCIPT2 [iterative configuration interaction (iCI) with selection and second-order perturbation theory (PT2); J. Chem. Theory Comput. 16, 2296 (2020)] for strongly correlated electrons is further…
Electron-phonon interaction (EPI) is presumably detrimental for thermoelectric performance in semiconductors because it limits carrier mobility. Here we show that enhanced EPI with strong energy dependence offers an intrinsic pathway to…
Voltage breakdown in high-voltage pulsed vacuum systems arises from nonlinear multiscale interactions among circuit dynamics, kinetic plasma evolution, and ion-induced secondary electron emission (SEE) at electrode surfaces. Although…
The accurate prediction of band gaps and structural properties in periodic systems continues to be one of the central goals of electronic structure theory. However, band gaps obtained from popular exchange-correlation functionals (such as…
The optimized effective potential (OEP) method allows for calculation of the local, effective single particle potential of density functional theory for explicitly orbital-dependent approximations to the exchange-correlation energy…
Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…
We demonstrate in this work the transferability of self-energy(SE) correction(SEC) of Kohn-Sham(KS) single particle states from smaller to larger systems, when mapped through localized orbitals constructed from the KS states. The approach…
The isolation-free operation of photonic integrated circuits enables dense integration, reducing packaging costs and complexity. Most isolator replacements require a change in the silicon-on-insulator (SOI) foundry process and suffer from…