Related papers: The Exact Potential Driving the Electron Dynamics …
Free electrons are unique tools to probe and manipulate nanoscale optical fields with emerging applications in ultrafast spectromicroscopy and quantum metrology. However, advances in this field are hindered by the small probability…
The exact time-dependent potential energy surface driving the nuclear dynamics was recently shown to be a useful tool to understand and interpret the coupling of nuclei, electrons, and photons, in cavity settings. Here we provide a detailed…
The ionization of H2 in intense laser pulses is studied by numerical integration of the time-dependent Schr\"odinger equation for a single-active-electron model including the vibrational motion. The electron kinetic-energy spectra in…
We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
We demonstrate a general three-dimensional semiclassical model as a powerful technique for the study of correlated multi-electron escape in atoms driven by infrared laser pulses at intensities where electron-electron correlation prevails.…
An eikonal expansion is developed in order to provide systematic corrections to the eikonal approximation through order 1/k^2, where k is the wave number. The expansion is applied to wave functions for the Klein-Gordon equation and for the…
There are several approximations to the exchange-correlation functional in density-functional theory that accurately predict total energy-related properties of many-electron systems, such as binding energies, bond lengths, and crystal…
The exchange-correlation hole density of the infinitely stretched (dissociated) hydrogen molecule can be cast into a closed analytical form by using its exact wave function. This permits to obtain an explicit exchange-correlation energy…
Vacuum polarization corrections to the energy levels of bound electrons are calculated using a perturbative path integral formalism. We apply quantum electrodynamics in a framework which treats the strong binding nuclear field to all…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
We derive the exact Casimir-Polder potential for a polarizable microparticle inside an ideal metal cylindrical shell using the Green function method. The exact Casimir-Polder potential for a particle outside a shell, obtained recently by…
Coupled elliptic quantum dots with different aspect ratios containing up to two electrons are studied using a model confinement potential in the presence of magnetic fields. Single and two particle Schroedinger equations are solved using…
We derive a new exact evolution equation for the scale dependence of an effective action. The corresponding equation for the effective potential permits a useful truncation. This allows one to deal with the infrared problems of theories…
Starting from a system of $N$ radial Schr\"odinger equations with a vanishing potential and finite threshold differences between the channels, a coupled $N \times N$ exactly-solvable potential model is obtained with the help of a single…
We look at an electron in the field of an arbitrary external potential $V$, such that the Schr\"odinger operator $p^2 + V$ has at least one eigenvalue, and show that by coupling to a quantized radiation field the binding energy increases,…
Chiral EFT yields singular potentials that require regularization and renormalization when implemented in a dynamical equation such as the Lippmann--Schwinger equation. We employ two different approaches, renormalization with contact terms…
The Exact Factorization (XF) of molecular wavefunctions can be viewed as an 'electronic wavepacket' framework for quantum dynamics. It is an appealing alternative to the conventional non-adiabatic dynamics, unfolding in the space of coupled…
Fromager and Lasorne [Electron. Struct. 6 025002 (2024)] have recently derived an in-principle exact Kohn-Sham density functional theory (KS-DFT) of electrons and nuclei, where the nuclear density and the (so-called conditional) electronic…
The pair-interactions U_{ij}(r) determine the thermodynamics and linear transport properties of matter via the pair-distribution functions (PDFs), i.e., g_{ij}(r). Great simplicity is achieved if U_{ij}(r) could be directly used to predict…