Related papers: High-order above-threshold ionization: the uniform…
This study proposes a high-order multi-scale method tailored for time-dependent nonlinear thermo-electro-mechanical coupling problems of composite structures with highly spatial heterogeneity, which incorporate temperature-dependent…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
Quantum statistical systems, composed of atoms or molecules interacting with each other through highly singular non-integrable potentials, are considered. The treatment of such systems cannot start with the standard approximations such as…
The strong field approximation (SFA) formulated in terms of so-called "quantum orbits" led to much insight into intense-laser driven ionization dynamics. In plain SFA, the emitted electron is treated as a free electron in the laser field…
An efficient numerical algorithm for the laser driven multi-level ionization of high-atomic-number gases is proposed and implemented in an electromagnetic particle-in-cell code SPACE. The algorithm is based on analytical solutions to the…
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful tools for large-scale materials modeling. The accuracy of…
The hyperpolarizability of an atom is a property that describes the nonlinear interaction between an atom and an external electric field leading to a higher-order Stark shift. Accurate evaluations of these coefficients for various systems…
In this paper, we investigate the performance of different approximate variants of the EOM-CCSD method for calculation of ionization potential, as compared to EOM-CCSDT reference values. The errors in the various approximate variants of the…
This paper introduces two mechanisms for computing over-approximations of sets of reachable states, with the aim of ensuring termination of state-space exploration. The first mechanism consists in over-approximating the automata…
Machine-learning potentials (MLPs) for atomistic simulations are a promising alternative to conventional classical potentials. Current approaches rely on descriptors of the local atomic environment with dimensions that increase…
This paper has been prepared by the Symphony collaboration (University of Warsaw, Uniwersytet Jagiello\'nski, DESY/CNR and ICFO) on the occasion of the 25th anniversary of the "simple man's models" which underlie most of the phenomena that…
We present the simplest model to which one can apply the supersymmetric Hubbard operators recently introduced. For the atomic model, $H=-E_d X_{00}$, where $X_{00} = |0><0|$ is a Hubbard operator and $E_d$ is the energy of the localized…
This paper proposes hybrid high-order eigensolvers for the computation of guaranteed lower eigenvalue bounds. These bounds display higher order convergence rates and are accessible to adaptive mesh-refining algorithms. The involved…
We present a theoretical framework which describes multiply-charged atomic ions, their stability within super-intense laser fields,also lay corrections to the systems due to relativistic effects. Dimensional scaling calculations with…
The delta function gauge of the electromagnetic potential allows semiclassical formulas to be obtained for the probability of exciting a single electron out of the ground state in an ultrarelativistic heavy ion reaction. Exact formulas have…
This paper theoretically analyzes the behavior of an atom driven by a strong electro-magnetic field. Moreover, besides traditional quantum mechanics method, we also investigate semiclassical approaches to this problem. We first performed…
For warm or hot and dense plasma, ionization potential depression plays a crucial role in determining the ionization balance and understanding the resulting microscopic plasma properties. However, the applicability of the widely used IPD…
A possible route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal and nanometer spatial resolution is to employ recolliding electrons as `probes'. The recollision process in molecules is, however,…
We explore the expressive power of Transformers by establishing precise approximation error upper and lower bounds for H\"{o}lder class. Specifically, a new approximation upper bound is derived for the standard Transformer architecture…
Calculations in Kohn-Sham density functional theory crucially rely on high-quality approximations for the exchange-correlation (xc) functional. Standard local and semi-local approximations fail to predict the ionization potential (IP) and…