Related papers: Nonsequential double ionization with time-dependen…
A study of the non linear modes of a two degree of freedom mechanical system with bilateral elastic stop is considered. The issue related to the non-smoothness of the impact force is handled through a regularization technique. In order to…
Intense-field ionization of the hydrogen molecular ion by linearly-polarized light is modelled by direct solution of the fixed-nuclei time-dependent Schr\"odinger equation and compared with recent experiments. Parallel transitions are…
Magnetic resonance imaging (MRI) provides high spatial resolution and excellent soft-tissue contrast without using harmful ionising radiation. Dynamic MRI is an essential tool for interventions to visualise movements or changes of the…
Dissociative recombination of N$_2$H$^+$ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory…
Neural Operators (NOs) are machine learning models designed to solve partial differential equations (PDEs) by learning to map between function spaces. Neural Operators such as the Deep Operator Network (DeepONet) and the Fourier Neural…
An infinite square well with a discontinuous step is one of the simplest systems to exhibit non-Newtonian ray-splitting periodic orbits in the semiclassical limit. This system is analyzed using both time-independent perturbation theory (PT)…
Highly sensitive nuclear spin detection is crucial in many scientific areas including nuclear magnetic resonance spectroscopy (NMR), imaging (MRI) and quantum computing. The tiny thermal nuclear spin polarization represents a major obstacle…
The natural orbital functional theory (NOFT) has emerged as an alternative formalism to both density functional (DF) and wavefunction methods. In NOFT, the electronic structure is described in terms of the natural orbitals (NOs) and their…
The effects of compressibility on Rayleigh-Taylor instability (RTI) are investigated by inspecting the interplay between thermodynamic and hydrodynamic non-equilibrium phenomena (TNE, HNE, respectively) via a discrete Boltzmann model (DBM).…
Precise soft landings on asteroids are central to many deep space missions for surface exploration and resource exploitation. To improve the autonomy and intelligence of landing control, a real-time optimal control approach is proposed…
The theoretical approach developed here treats uniformly the direct and indirect mechanisms of dissociative recombination (DR) in a diatomic ion. The present theory is based on electron scattering calculations performed at several…
To understand the fundamental trade-offs between training stability, temporal dynamics and architectural complexity of recurrent neural networks~(RNNs), we directly analyze RNN architectures using numerical methods of ordinary differential…
In the present paper, we develop a semiclassical quasi-static model accounting for molecular double ionization in an intense laser pulse. With this model, we achieve insight into the dynamics of two highly-correlated valence electrons under…
Based on first-principles calculation and analysis of crystal symmetries, we propose a kind of hourglass-like nodal net (HNN) semimetal in centrosymmetric Ag2BiO3 that is constructed by two hourglass-like nodal chains (HNCs) at mutually…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
It is generally believed that the recollision mechanism of atomic nonsequential double ionization is suppressed in circularly polarized laser fields because the returning electron is unlikely to encounter the core. On the contrary, we find…
We propose an easily implemented approach to study time-dependent correlation functions of one dimensional systems at finite temperature T using the density matrix renormalization group. The entanglement growth inherent to any…
We study the stability of circular orbits of the electromagnetic two-body problem in an electromagnetic setting that includes retarded and advanced interactions. We give a method to derive the equations of tangent dynamics about circular…
Conditional computation for Deep Neural Networks (DNNs) reduce overall computational load and improve model accuracy by running a subset of the network. In this work, we present a runtime throttleable neural network (TNN) that can…
The computational investigation of photochemical processes often entails the calculation of excited state geometries, energies, and energy gradients. The nuclear-electronic orbital (NEO) approach treats specified nuclei, typically protons,…