Related papers: Study of Self-Interaction Errors in Density Functi…
The central importance of large scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine…
Motivated by recent experiments, we study the interaction corrections to the damping of magnetooscillations in a two-dimensional electron gas (2DEG). We identify leading contributions to the interaction-induced damping which are induced by…
A digitally-assisted photonic analog domain self-interference cancellation (SIC) and frequency downconversion method is proposed for in-band full-duplex multiple-input multiple-output (MIMO) systems using the least square (LS) algorithm…
Through 2D3V PIC simulations of freely decaying sub-ion turbulence, intermittent localized regions with $\mathbf{E} \cdot \mathbf{B} \neq 0$ are found, in the early electron-scale interaction phase, to be statistically associated with…
Constraints on the cosmic history of self-interacting Bose-Einstein condensed (SIBEC) dark matter (DM) are obtained using the cosmic microwave background (CMB), baryonic acoustic oscillations (BAO), growth factor measurements, and type Ia…
The free space Maxwell dielectric problem can be reduced to a system of surface integral equations (SIE). A numerical formulation for the Maxwell dielectric problem using an SIE system presents two key advantages: first, the radiation…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
Inter-site interactions between single atom catalysts (SACs) in the high loading regime are critical to tuning the catalytic performance. However, the understanding on such interactions and their distance dependent effects remains elusive,…
Successive Interference Cancellation (SIC) is a powerful technique for managing interference in wireless networks, yet its optimal deployment in decentralized environments remains a challenge. This study investigates joint power and rate…
Density functional theory (DFT) in chemistry and materials science aims for "chemical accuracy," but this goal is challenged by the need to approximate the exact exchange-correlation (XC) energy functional. The r$^2$SCAN, meta-generalized…
While configuration interaction singles (CIS) provides a computationally efficient description of excited states, it systematically overestimates excitation energies and performs poorly for strongly correlated systems, partly due to the…
Due to several attractive features, the meta-generalized-gradient approximations (meta-GGAs) are considered to be the most advanced and potentially accurate semilocal exchange-correlation functionals in the rungs of the Jacob's ladder of…
The fourth-order PDE that models the density variation of smectic A liquid crystals presents unique challenges in its (numerical) analysis beyond more common fourth-order operators, such as the classical biharmonic. While the operator is…
Nonlinear self-interference cancellation (SIC) is essential for full-duplex communication systems, which can offer twice the spectral efficiency of traditional half-duplex systems. The challenge of nonlinear SIC is similar to the classic…
We introduce an extension of the dynamical mean field approximation (DMFA) which retains the causal properties and generality of the DMFA, but allows for systematic inclusion of non-local corrections. Our technique maps the problem to a…
The Heyd-Scuseria-Ernzerhof (HSE) density functionals are popular for their ability to improve the accuracy of standard semilocal functionals such as Perdew-Burke-Ernzerhof (PBE), particularly for semiconductor band gaps. They also have a…
We study the potential for precision electroweak (EW) measurements and beyond-the-Standard Model (BSM) searches using cross-section asymmetries in neutral-current (NC) deep inelastic scattering at the electron-ion collider (EIC). Our…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
We present a new efficient way to perform hybrid density functional theory (DFT) based electronic structure calculation. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical…
We present a systematic study of interaction induced dipole electric properties of all molecular dimers in the S66 set, relying on CCSD(T)-F12b/aug-cc-pVDZ-F12 as reference level of theory. For field strengths up to $\approx$5 GV m$^{-1}$…