Related papers: Local self-interaction correction method with a si…
We investigate the suitability of the local compressibility chi(z) as a measure of the solvophobicity or hydrophobicity of a substrate. Defining the local compressibility as the derivative of the local one-body density w.r.t. the chemical…
In this work, we develop a mathematical framework for a Selected Configuration Interaction (SCI) algorithm within a bi-orthogonal basis for transcorrelated (TC) calculations. The bi-orthogonal basis used here serves as the equivalent of the…
Parametric scaling representations are obtained and studied for the asymptotic behavior of interfacial tensions in the \textit{full} neighborhood of a fluid (or Ising-type) critical endpoint, i.e., as a function \textit{both} of temperature…
Integrated sensing and communication (ISAC) networks are investigated with the objective of effectively balancing the sensing and communication (S&C) performance at the network level. Through the simultaneous utilization of multi-point…
The strongly constrained and appropriately normed (SCAN) semilocal density functional [J. Sun, A. Ruzsinszky, J. P. Perdew \textit{Phys. Rev. Lett.} {\bf 115}, 036402 (2015)] obeys all 17 known exact constraints for…
Intrinsic alignment (IA) of galaxies is a challenging source of contamination in the Cosmic shear (GG) signals. The galaxy intrinsic ellipticity-gravitational shear (IG) correlation is generally the most dominant component of such…
In this work, we extend selected configuration interaction (SCI) methods beyond energies and expectation values by introducing a linear response (LR) framework for molecular response properties. Existing SCI approaches are capable of…
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…
Intermolecular interactions in protein solutions in general contain many contributions. If short-range attractions dominate, the state diagram exhibits liquid-liquid phase separation (LLPS) that is metastable with respect to…
Measuring weak lensing cosmic magnification signal is very challenging due to the overwhelming intrinsic clustering in the observed galaxy distribution. In this paper, we modify the Internal Linear Combination (ILC) method to reconstruct…
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…
This paper investigates the problem of high-precision target localization in integrated sensing and communication (ISAC) systems, where the target is sensed via both a direct path and a reconfigurable intelligent surface (RIS)-assisted…
We propose the Compact Coupling Interface Method (CCIM), a finite difference method capable of obtaining second-order accurate approximations of not only solution values but their gradients, for elliptic complex interface problems with…
Background: The effects of non-local potentials have historically been approximately included by applying a correction factor to the solution of the corresponding equation for the local equivalent interaction. This is usually referred to as…
In recent years, a series of scaling correction (SC) methods have been developed in the Yang laboratory to reduce and eliminate the delocalization error, which is an intrinsic and systematic error existing in conventional density functional…
To reach the full potential for the next generation of weak lensing surveys, it is necessary to mitigate the contamination of intrinsic alignments (IA) of galaxies in the observed cosmic shear signal. The self calibration (SC) of intrinsic…
The S66x8 noncovalent interactions benchmark has been re-evaluated at the "sterling silver" level, using explicitly correlated MP2-F12 near the complete basis set limit, CCSD(F12*)/aug-cc-pVTZ-F12, and a (T) correction from conventional…
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…
One-electron self-interaction and an incorrect asymptotic behavior of the Kohn-Sham exchange-correlation potential are among the most prominent limitations of many present-day density functionals. However, a one-electron…
A fluid reconfigurable intelligent surface (fRIS)-aided integrated sensing and communication (ISAC) system is proposed to enhance multi-target sensing and multi-user communication. Unlike the conventional RIS, the fRIS employs movable…