Related papers: A Third-Order Relativistic Algebraic Diagrammatic …

The analytic deep prior (ADP) approach was recently introduced for the theoretical analysis of deep image prior (DIP) methods with special network architectures. In this paper, we prove that ADP is in fact equivalent to classical…

We derive a canonical analysis of a double null 2+2 Hamiltonian description of General Relativity in terms of complex self-dual 2-forms and the associated SO(3) connection variables. The algebra of first class constraints is obtained and…

We study a two-grid strategy for decoupling the time-dependent Poisson-Nernst-Planck equations describing the mass concentration of ions and the electrostatic potential. The computational system is decoupled to smaller systems by using…

We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

We develop a reduced-order operator-learning framework for forward and inverse band-structure design of two-dimensional photonic crystals with binary, pixel-based $p4m$-symmetric unit cells. We construct a POD--DeepONet surrogate for the…

Canonical Polyadic Decomposition (CPD) of a third-order tensor is decomposition in a minimal number of rank-$1$ tensors. We call an algorithm algebraic if it is guaranteed to find the decomposition when it is exact and if it only relies on…

We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCSD) theory for static and dynamic polarizabilities of atoms…

We discuss two methods for relating bosonic and fermionic relativistic field theories in 2+1 dimensions, the $Z_2^f$ gauging and the flux attachment. The first is primarily a correspondence between topological theories. It amounts to…

Since its inception, the ReSpect program has been evolving to provide powerful tools for simulating spectroscopic processes and exploring emerging research areas, all while incorporating relativistic effects, particularly spin-orbit…

In this paper we obtain a 2+2 double null Hamiltonian description of General Relativity using only the (complex) SO(3) connection and the components of the complex densitised self-dual bivectors. We carry out the general canonical analysis…

We consider D3-brane gauge theories at an arbitrary toric Calabi-Yau 3-fold cone singularity that are then further compactified on a Riemann surface $\Sigma_g$, with an arbitrary partial topological twist for the global $U(1)$ symmetries.…

The ionization potential (IP) of radium monofluoride (RaF) was measured to be 4.969(2)[10] eV, revealing a relativistic enhancement in the series of alkaline earth monofluorides. The results are in agreement with a relativistic…

We propose a family of order parameters to detect the symmetry fractionalization class of anyons in 2D topological phases. This fractionalization class accounts for the projective, as opposed to linear, representations of the symmetry group…

Crystal structures can be predicted from first-principles using ab initio random structure searching AIRSS and density functional theory (DFT). AIRSS provides a method to sample the potential energy landscape and DFT provides a robust and…

This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…

Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $\alpha$, of doubly ionized alkaline earth metal ions $\rm{Mg}^{2+}$, $\rm{Ca}^{2+}$, $\rm{Sr}^{2+}$, $\rm{Ba}^{2+}$ and…

Electron-impact ionization of atomic hydrogen with the electron's anomalous mag- netic moment (AMM) effects are examined. The formulas for the laser-assisted relativis- tic triple differential cross section (TDCS) in the coplanar binary…

Machine learning interatomic potentials (MLIPs) are routinely used atomic simulations, but generating databases of atomic configurations used in fitting these models is a laborious process, requiring significant computational and human…

The electron-detachment energy is measured by its ionization potential (IP). As a result, it is a fundamental observable and important molecular electronic signature in photoelectron spectroscopy. A precise theoretical prediction of…

In the present contribution, we apply the double exponential Sinc-collocation method (DESCM) to the one-dimensional time independent Schr\"odinger equation for a class of rational potentials of the form $V(x) =p(x)/q(x)$. This algorithm is…