相关论文: A complex Gaussian approach to molecular photoioni…
We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on the molecular alignment…
We propose efficient algorithms for classically simulating fermionic linear optics operations applied to non-Gaussian initial states. By gadget constructions, this provides algorithms for fermionic linear optics with non-Gaussian…
Ionization of atoms by linearly polarized strong laser fields produces cylindrically symmetric photoelectron momentum distributions that exhibit modulations due to the interference of outgoing electron trajectories. For a faithful modeling,…
The use of Bohmian mechanics as a practical tool for modeling non-relativistic quantum phenomena of matter provides clear evidence of its success, not only as a way to interpret the foundations of quantum mechanics, but also as a…
In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic ($B$ field)…
In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on surfaces. Here we show that POT allows for the comprehensive experimental…
We present a framework for studying bosonic non-Gaussian channels of continuous-variable systems. Our emphasis is on a class of channels that we call photon-added Gaussian channels, which are experimentally viable with current…
In the context of quantum information, highly nonlinear regimes, such as those supporting solitons, are marginally investigated. We miss general methods for quantum solitons, although they can act as entanglement generators or as…
In this article, we propose a Frozen Gaussian Sampling (FGS) algorithm for simulating nonadiabatic quantum dynamics at metal surfaces with a continuous spectrum. This method consists of a Monte-Carlo algorithm for sampling the initial wave…
Photoelectron spectra and photoelectron angular distributions obtained in photoionization reveal important information on e.g. charge transfer or hole coherence in the parent ion. Here we show that optimal control of the underlying quantum…
We address several estimation problems in quantum optics by means of the maximum-likelihood principle. We consider Gaussian state estimation and the determination of the coupling parameters of quadratic Hamiltonians. Moreover, we analyze…
The three-body Schr\"odinger equation of the H$_2^+$ hydrogen molecular ion with Coulomb potentials is solved in perimetric coordinates using the Lagrange-mesh method. The Lagrange-mesh method is an approximate variational calculation with…
A new explicitly correlated functional form for expanding the wave function of an N-particle system with arbitrary angular momentum and parity is presented. We develop the projection-based approach, numerically exploited in our previous…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…
Gaussian boson sampling is originally proposed to show quantum advantage with quantum linear optical elements. Recently, several experimental breakthroughs based on Gaussian boson sampling pointing to quantum computing supremacy have been…
Without a formal derivation, we propose a formula for the total and single-differential cross in the problem of one-photon double ionization of an atom. The formula is benchmarked against accurate experimental data for the total cross…
Low-ionization metal absorption lines provide a primary probe of cool gas in and around galaxies. We confront observations of metal-line absorption in quasar spectra with predictions from the IllustrisTNG cosmological simulation in order to…
A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
Photoemission orbital tomography (POT) from photoelectron momentum maps (PMMs) has enabled detailed analysis of the shape and energy of molecular orbitals in the adsorbed state. This study proposes a new POT method based on the PhaseLift.…