Related papers: Local self-interaction correction method with a si…
Stochastic interactions generically enhance self-diffusivity in living and biological systems, e.g. optimizing navigation strategies and controlling material properties of cellular tissues and bacterial aggregates. Despite this, the…
Selected configuration interaction (sCI) methods including second-order perturbative corrections provide near full CI (FCI) quality energies with only a small fraction of the determinants of the FCI space. Here, we introduce both a…
Uncertainty in the mass-observable scaling relations is currently the limiting factor for galaxy cluster based cosmology. Weak gravitational lensing can provide a direct mass calibration and reduce the mass uncertainty. We present new…
Residuals between measured galactic radii and those predicted by the Fundamental Plane (FP) are possible tracers of weak lensing magnification. However, observations have shown these to be systematically correlated with the large-scale…
Cosmic shear can only be measured where there are galaxies. This source-lens clustering (SLC) effect has two sources, intrinsic source clustering and cosmic magnification (magnification/size bias). Lensing tomography can suppress the…
Sparse subspace clustering (SSC) relies on sparse regression for accurate neighbor identification. Inspired by recent progress in compressive sensing, this paper proposes a new sparse regression scheme for SSC via two-step reweighted…
Benefiting from its high efficiency and simplicity, Simple Linear Iterative Clustering (SLIC) remains one of the most popular over-segmentation tools. However, due to explicit enforcement of spatial similarity for region continuity, the…
We study the potential of a large future weak-lensing survey to constrain dark energy properties by using both the number counts of detected galaxy clusters (sensitive primarily to density fluctuations on small scales) and tomographic…
An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is presented. By exploiting the connection between configuration…
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic algorithm for performing multireference Epstein-Nesbet…
Kinetic Ising models on the square lattice with both nearest-neighbor interactions and self-interaction are studied for the cases of random sequential updating and parallel updating. The equilibrium phase diagrams and critical dynamics are…
The S66 non-covalent interactions are studied through localized coupled-cluster methods and general LNO-CCSD(T)-based composite schemes. Very small RMS deviations (\leq 0.05 kcal/mol) for the low-cost composite approaches from the SILVER…
Sound zone control (SZC) implemented using static optimal filters is significantly affected by various perturbations in the acoustic environment, an important one being the fluctuation in the speed of sound, which is in turn influenced by…
In recent years, ionic microgels have garnered much attention due to their unique properties, especially their stimulus-sensitive swelling behavior. The tunable response of these soft, permeable, compressible, charged colloidal particles is…
Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have limitations, either in terms of scalability,…
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,…
We investigate the local and global optimality of the triangular, square, simple cubic, face-centred-cubic (FCC), body-centred-cubic (BCC) lattices and the hexagonal-close-packing (HCP) structure for a potential energy per point generated…
The recently developed semistochastic heat-bath configuration interaction (SHCI) method is a systematically improvable selected configuration interaction plus perturbation theory method capable of giving essentially exact energies for…
Ab-initio, self-consistent electronic energy bands of zinc blende CdS are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and ground state calculations employed a local density…
This paper investigates the reconfigurable reflecting surface (RIS)-aided multiple-input-single-output (MISO) systems with imperfect channel state information (CSI), where RIS-related channels are modeled by Rician fading. Considering the…