Related papers: Random Phase Approximation in Projected Oscillator…
A model of localized electron wave packets (WPs) with variable position and width (floating and breathing) that are spin-coupled as per the valence-bond theory is presented. It produces accurate potential energy curves of LiH in the ground…
Off-equatorial circular orbits with constant latitudes (halo orbits) of electrically charged particles exist near compact objects. In the previous paper, we discussed this kind of motion and demonstrated the existence of minima of the…
Portfolio Optimization (PO) is a financial problem aiming to maximize the net gains while minimizing the risks in a given investment portfolio. The novelty of Quantum algorithms lies in their acclaimed potential and capability to solve…
We review the state space decomposition techniques for the assessment of the noise properties of autonomous oscillators, a topic of great practical and theoretical importance for many applications in many different fields, from electronics,…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
Point multipole expansions are widely used to gain physical insight into complex distributions of charges and to reduce the cost of computing interactions between such distributions. However, practical applications that typically retain…
Advances in the generation and the application of spatiotemporal optical vortices (STOV) are proceeding fast, but fundamental aspects of their nature remain obscure. Phys. Rev. A 107, L031501 (2023) (PRA) and Prog. Electromagn. Res. 177, 95…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…
An accurate description of electron correlation energies in molecules requires either basis set extrapolation or the use of explicitly-correlated wave functions that address the deficiencies of standard determinantal expansions at short…
In this letter, we propose for the first time a method of abstracting the PPV (Perturbation Projection Vector) characteristic of the up-to-date memristor-based oscillators. Inspired from biological oscillators and its characteristic named…
An extended formulation of out-of-time-ordered correlators (OTOCs), which quantify noncommutative operator growth and information scrambling in quantum many-body systems, is developed for turbulence dynamics as a representative of…
Combinatorial optimization is a promising area for achieving quantum speedup. Quantum approximate optimization algorithm (QAOA) is designed to search for low-energy states of the Ising model, which correspond to near-optimal solutions of…
Ab initio calculations face the challenge of describing a complex multiscale quantum many-body system. The nuclear wave function has both strong short-range correlations and long-range contributions. Natural orbitals provide a means of…
We investigate the convergence towards periodic orbits in discrete dynamical systems. We examine the probability that a randomly chosen point converges to a particular neighborhood of a periodic orbit in a fixed number of iterations, and we…
Driven by increased applications in biological networks and wireless sensor networks, synchronization of pulse-coupled oscillators (PCOs) has gained increased popularity. However, most existing results address the local synchronization of…
This paper presents a method for the approximation of harmonic potentials that combines downward continuation of globally available data on a sphere $\Omega_R$ of radius $R$ (e.g., a satellite's orbit) with locally available data on a…
We propose a post-processing variationally scheduled quantum algorithm (pVSQA) for solving constrained combinatorial optimization problems (COPs). COPs are typically transformed into ground-state search problems of the Ising model on a…
United-Atom (UA) force fields are usually constructed using a Boltzmann-inverse method based on distributions obtained from Monte-Carlo simulations. A new method of constructing UA force fields from All-Atom (AA) molecular dynamics…
We introduce affordable computational strategies for calculating orbital and pair-orbital energies in atomic and molecular systems. Our methods are based on the pair Coupled Cluster Doubles (pCCD) ansatz and its orbital-optimized variant.…
Numerical optimization techniques are widely used in a broad area of science and technology, from finding the minimal energy of systems in Physics or Chemistry to finding optimal routes in logistics or optimal strategies for high speed…