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We study the numerical solution of the non-relativistic Schr\"{o}dinger equation for two-electron atoms in ground and excited S-states using pseudospectral (PS) methods of calculation. The calculation achieves convergence rates for the…
We deal with countable alphabet locally compact random subshifts of finite type (the latter merely meaning that the symbol space is generated by an incidence matrix) under the absence of Big Images Property and under the absence of uniform…
In this work, the development and implementation of the effective stochastic potential (ESP) method is presented to perform efficient conformational sampling of molecules. The overarching goal of this work is to alleviate the computational…
This paper describes a new Monte Carlo method based on a novel stochastic potential switching algorithm. This algorithm enables the equilibrium properties of a system with potential $V$ to be computed using a Monte Carlo simulation for a…
Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art…
Along with developing of Peaceman-Rachford Splittling Method (PRSM), many batch algorithms based on it have been studied very deeply. But almost no algorithm focused on the performance of stochastic version of PRSM. In this paper, we…
We introduce the concept of selective quantum state tomography or SQST, a tomographic scheme that enables a user to estimate arbitrary elements of an unknown quantum state using a fixed measurement record. We demonstrate how this may be…
Recently, the nonlocal optimal probabilistic cloning (NLOPC) of two non-orthogonal qubit states has been proposed [Phys. Rev. A 86, 052332 (2012)] by means of an experimental setup based on a pair of twin photons in a maximally entangled…
Parameter inference for stochastic differential equation mixed effects models (SDEMEMs) is a challenging problem. Analytical solutions for these models are rarely available, which means that the likelihood is also intractable. In this case,…
We derive analytic expressions of the recursive solutions to the Schr\"{o}dinger's equation by means of a cutoff potential technique for one-dimensional piecewise constant potentials. These solutions provide a method for accurately…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
The paper suggests a generalization of the Sign-Perturbed Sums (SPS) finite sample system identification method for the identification of closed-loop observable stochastic linear systems in state-space form. The solution builds on the…
This work proposes a novel approach to reinforce localization security in wireless networks in the presence of malicious nodes that are able to manipulate (spoof) radio measurements. It substitutes the original measurement model by another…
We derive an analytic connection between the screened self-consistent effective potential from density functional theory (DFT) and atomic effective pseudopotentials (AEPs). The motivation to derive AEPs is to address structures with…
The selective number-dependent arbitrary phase (SNAP) gates form a powerful class of quantum gates, imparting arbitrarily chosen phases to the Fock states of a cavity. However, for short pulses, coherent errors limit the performance. Here…
The experimental realization of optimal symmetric phase-covariant 1->2 cloning of qubit states is presented. The qubits are represented by polarization states of photons generated by spontaneous parametric down-conversion. The experiment is…
Self-supervised learning (SSL) has emerged as a powerful strategy for representation learning under limited annotation regimes, yet its effectiveness remains highly sensitive to many factors, especially the nature of the target task. In…
In the iterative algorithm recently proposed by Waxman for solving eigenvalue problems, we point out that the convergence rate may be improved. For many non-singular symmetric potentials which vanish asymptotically, a simple analytical…
SMC$^2$ is an efficient algorithm for sequential estimation and state inference of state-space models. It generates $N_{\theta}$ parameter particles $\theta^{m}$, and, for each $\theta^{m}$, it runs a particle filter of size $N_{x}$ (i.e.…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…