Related papers: Nonadiabatic ab initio molecular dynamics includin…
The Solid Electrolyte Interphase (SEI) is critical to the performance of lithium-ion batteries, yet its analysis via Operando Infrared (IR) spectroscopy remains experimentally complex and expensive, which limits its accessibility for…
Several laser techniques have been suggested and demonstrated recently for preparing polarizable molecules in rapidly spinning states with a disc-like angular distribution. We consider motion of these spinning discs in inhomogeneous fields,…
We describe how to control the motion -- both speed and propagation direction -- of a nonlinear traveling wave in real time via soliton management with time-varying dispersion/diffusion and loss/gain terms. When carried out subject to…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
Nonadiabatic removal of an external transverse magnetic field provides a phase-selective mechanism for controlling betatron oscillations in laser wakefield accelerators. When the field is switched off on a timescale shorter than the…
Computing properties of molecular systems rely on estimating expectations of the (unnormalized) Boltzmann distribution. Molecular dynamics (MD) is a broadly adopted technique to approximate such quantities. However, stable simulations rely…
Charge dynamics in an ultra-cold setup involving a laser dressed atom and an ion is studied here. This transfer of charge is enabled through molecular Rydberg states that are accessed via a laser. The character of the charge exchange…
The electronic, thermal, magnetic and optical properties of BN-codoped strontium oxide (SrO) monolayers are studied taking into account the interaction effects between the B and the N dopant atoms. The indirect band gap of a pure two…
We extend the concept of superadiabatic dynamics, or transitionless quantum driving, to quantum open systems whose evolution is governed by a master equation in the Lindblad form. We provide the general framework needed to determine the…
The direct interaction of super-intense laser fields in the optical frequency domain with nuclei is studied. As main observable, we consider the nuclear AC-Stark shift of low-lying nuclear states due to the off-resonant excitation by the…
Nonlinear optical signals in optically driven quantum systems can reveal coherences and thereby open up the possibility for manipulation of quantum states. While the limiting cases of ultrafast and continuous-wave excitation have been…
Non-adiabatic molecular dynamics simulations are used to analyze the role of different solvent degrees of freedom in the non-radiative relaxation of the first excited state of the hydrated electron. The relaxation occurs through a…
Nonadiabatic effects appear due to avoided crossings or conical intersections that are either intrinsic properties in field-free space or induced by a classical laser field in a molecule. It was demonstrated that avoided crossings in…
Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained from electronic structure computations involve random phases,…
We demonstrate all-optical implementation of spin-orbit coupling (SOC) in a two-electron Fermi gas of $^{173}$Yb atoms by coupling two hyperfine ground states with a narrow optical transition. Due to the SU($N$) symmetry of the $^1$S$_0$…
Spin-orbit coupling (SOC), which is inherent to a Dirac particle that moves under the influence of electromagnetic fields, manifests itself in a variety of physical systems including non-relativistic ones. For instance, it plays an…
One of the greatest challenges in interpreting the pulsations of rapidly rotating stars is mode identification, i.e. correctly matching theoretical modes to observed pulsation frequencies. Indeed, the latest observations as well as current…
An inhomogeneous magnetic exchange field at a superconductor/ferromagnet interface converts spin-singlet Cooper pairs to a spin-aligned (i.e. spin-polarized) triplet state. Although the decay envelope of such triplet pairs within…
Nonadiabtic dressed states and nonadiabatic induced dipole moment in the leading order of nonadiabaticity is proposed. The nonadiabatic induced dipole moment is studied in the femtosecond time domain.
We present a complete analysis of the laser control of a model molecular system using both optimal control theory and adiabatic techniques. This molecule has a particular potential energy surface with a bifurcating region connecting three…