Related papers: Nonsequential double ionization with time-dependen…
Deep Operator Network (DeepONet), a recently introduced deep learning operator network, approximates linear and nonlinear solution operators by taking parametric functions (infinite-dimensional objects) as inputs and mapping them to…
The present work explores quantitative limits to the Single-Active Electron (SAE) approximation, often used to deal with strong-field ionization and subsequent attosecond dynamics. Using a time-dependent multi\-configuration approach,…
We introduce OS-net (Orbitally Stable neural NETworks), a new family of neural network architectures specifically designed for periodic dynamical data. OS-net is a special case of Neural Ordinary Differential Equations (NODEs) and takes…
Accurately learning solution operators for time-dependent partial differential equations (PDEs) from sparse and irregular data remains a challenging task. Recurrent DeepONet extensions inherit the discrete-time limitations of…
We investigate the thermodynamics and transient dynamics of the (unbiased) Ohmic two-state system by exploiting the equivalence of this model to the interacting resonant level model. For the thermodynamics, we show, by using the numerical…
Rabi oscillations have long been thought to be out of reach in simulations using time-dependent density functional theory (TDDFT), a prominent symptom of the failure of the adiabatic approximation for non-perturbative dynamics. We present a…
Both uncorrelated ("sequential") and correlated ("nonsequential") processes contribute to the double ionization of the helium atom in strong laser pulses. The double ionization probability has a characteristic "knee" shape as a function of…
A nonadiabatic scheme for the description of the coupled electron and nuclear motions in the ozone molecule was proposed recently. An initial coherent nonstationary state was prepared as a superposition of the ground state and the excited…
Quantum calculations of a 1+1-dimensional model for double ionization in strong laser fields are used to trace the time evolution from the ground state through ionization and rescattering to the two electron escape. The subspace of…
The structure of approximate two electron wavefunction is deeply investigated, both theoretically and numerically, in the strong-field driven ionization dynamics. Theoretical analyses clarify that for two electron singlet systems, the…
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the…
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 consider a one-dimensional gas of $N$ independent Brownian particles subject to simultaneous stochastic resetting, with inter-reset times drawn from a general waiting-time distribution $\psi(\tau)$. This includes the well-known…
Unravelling two-electron correlation is a long-standing challenge at the heart of few-body quantum physics, underlying correlated phenomena across atomic, molecular and condensed-matter science. In prototypical three-body Coulomb systems,…
In this paper we develop a non-diffusive neural network (NDNN) algorithm for accurately solving weak solutions to hyperbolic conservation laws. The principle is to construct these weak solutions by computing smooth local solutions in…
We examine the nature and statistical properties of electron-electron collisions in the recollision process in a strong laser field. The separation of the double ionization yield into sequential and nonsequential components leads to a…
In this work we present a derivation of the real-time time-dependent orbital-optimized M{\o}ller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDNOMP2), theory starting from the time-dependent…
Dynamic nuclear polarization (DNP) is an important method to enhance the limited sensitivity of nuclear magnetic resonance (NMR). Using the existing mechanisms such as Overhauser DNP (ODNP) is still difficult to achieve significant…
Time-evolution of the vibrational states of two interacting harmonic oscillators in the local mode scheme is presented. A local-to-normal mode transition (LNT) is identified and studied from the time dependent point of view. The LNT is…
To better model the efficient production of cosmic rays (CRs) in supernova remnants (SNRs) with the associated coupling between CR production and SNR dynamics, we have generalized an existing cr-hydro-NEI code (i.e., Ellison et al. 2012) to…