Related papers: All-Electron Molecular Tunnel Ionization Based on …
We develop and test a method that integrates many-electron weak-field asymptotic theory (ME-WFAT) [Phys. Rev. A 89, 013421 (2014)] in the integral representation (IR) into the density functional theory (DFT) framework. In particular, we…
In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wavefunction of the molecular orbital from which the electron is removed. The orbital…
Multielectron tunneling ionization creates ionic coherence crucial for lasing and driving electron motion in molecules. While tunneling is well understood as a single active electron process, less emphasis has been placed on theoretical…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
Multipath holographic interference in strong-field quantum tunnel ionization is key to revealing sub-Angstrom attosecond dynamics for molecular movies. This critical sub-cycle motion is often obscured by longer time-scale effects such as…
Quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal through a new ab initio formulation of dynamical mean-field…
Results of the first ab initio simulations of InN/GaN multiquantum well (MQW) system are presented. The DFT results confirm the presence of the polarization charge at InN/GaN interfaces, i.e. at polar InN/GaN heterostructures. These results…
The cylindrical Taylor Interpolation through FFT (TI-FFT) algorithm for computation of the near-field and far-field in the quasi-cylindrical geometry has been introduced. The modal expansion coefficient of the vector potentials ${\bf F}$…
We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is…
A new semiclassical approach to ionization by an oscillating field is presented. For a delta-function atom, an asymptotic analysis is performed with respect to a quantity h, defined as the ratio of photon energy to ponderomotive energy.…
Tunneling ionization in static or slowly varying electric fields is a cornerstone of strong-field physics and provides the entry point for semiclassical descriptions of above-threshold ionization and high-harmonic generation. In…
We investigate relativistic wavepacket dynamics for an electron tunneling through a potential barrier employing space-time resolved solutions to relativistic quantum field theory (QFT) equations. We prove by linking the QFT property of…
Achieving chemical accuracy for molecular simulations remains a central challenge in computational chemistry. Here, we present an embedded correlated wavefunction transfer learning (ECW-TL) framework for accurately simulating molecular…
Superconducting qubits already demonstrated potential in emulating coherent back scattering or weak localization (WL) and tunnelling phenomena however, in a real multipath system they have not been verified yet.Here we show how a…
The development of high-performance electron sources requires theoretical frameworks that accurately link the microscopic electronic properties of cathode materials to their macroscopic photoemission observables. Here, we present a…
Tunneling ionization is one of the fundamental electron dynamics, which has wide applications in ultrafast physics. When frustrated tunneling ionization (FTI) is considered, the tunneling rate is not equivalent to ionization rate. However,…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
Quantum calculations of tunneling in strong-field ionization (SFI) predict intricate momentum distributions due to sub-laser-cycle attosecond electron dynamics. These are obscured in most experiments by the dominance of inter-cycle…
Using a three-dimensional quasiclassical technique we explore molecular double ionization by a linearly polarized, infrared (800~nm) 27~fs laser pulse. For intensities ranging from the tunneling to the over-the-barrier regime, we identify…
Field electron emission (FE) and electrostatic field ionization (ESFI) are quantum-mechanical tunnelling processes that provide basic theory for important technologies. However, the basic theories of FE and ESF1 are not yet completely…