Related papers: Exploring exact-factorization-based trajectories f…
Adiabatic quantum computation employs a slow change of a time-dependent control function (or functions) to interpolate between an initial and final Hamiltonian, which helps to keep the system in the instantaneous ground state. When the…
We consider a periodically driven system where the high-frequency driving protocol consists of a sequence of potentials switched on and off at different instants within a period. We explore the possibility of introducing an adiabatic…
The Born-Oppenheimer electronic wavefunction $\Phi_R^{BO}(r)$ picks up a topological phase factor $\pm 1$, a special case of Berry phase, when it is transported around a conical intersection of two adiabatic potential energy surfaces in…
The fate of the molecular geometric phase in an exact dynamical framework is investigated with the help of the exact factorization of the wavefunction and a recently proposed quantum hydrodynamical description of its dynamics. An…
We present a framework for simulating relaxation dynamics through a conical intersection of an open quantum system that combines methods to approximate the motion of degrees of freedom with disparate time and energy scales. In the vicinity…
The effective Hamiltonian for the linear $E\otimes e$ Jahn-Teller model describes the coupling between two electronic states and two vibrational modes in molecules or bulk crystal impurities. While in the Born-Oppenheimer approximation the…
We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…
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,…
For a rigorous quantum simulation of nonadiabatic dynamics of electrons and nuclei, knowledge of not only first-order but also second-order nonadiabatic couplings (NAC), is required. Here we propose a method to efficiently calculate…
Jahn-Teller systems and the Jahn-Teller effect are discussed in terms of cavity QED models. By expressing the field modes in a quadrature representation, it is shown that certain setups of a two-level system interacting with a bimodal…
Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy…
We propose a quantum speedup method for adiabatic generation of cat states in bosonic Josephson junctions via shortcuts to adiabaticity. We apply approximated counter-diabatic driving to a bosonic Josephson junction using the…
The choice of the electronic representation in on-the-fly quantum dynamics is crucial. The adiabatic representation is appealing since adiabatic states are readily available from quantum chemistry packages. The nuclear wavepackets are then…
We study both static and transport properties of model quantum dots, employing density functional theory as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation…
We study the trajectories of a single colloidal particle as it hops between two energy wells A and B, which are sculpted using adjacent optical traps by controlling their respective power levels and separation. Whereas the dynamical…
The fast forward scheme of adiabatic quantum dynamics is applied to finite regular spin clusters with various geometries and the nature of driving interactions is elucidated. The fast forward is the quasi-adiabatic dynamics guaranteed by…
We present a factorization formula for the energy-energy correlator in the collinear limit for the case of heavy ion collisions. Employing Soft Collinear Effective Theory, we provide a complete framework for jet production and evolution by…
Here the ionization and high harmonic generation in Hydrogen and Helium by using quantum (hydrodynamic) trajectories is analyzed theoretically. The quantum trajectories allow a self-contained treatment of the electron exchange and…
N-point energy correlators are powerful observables for studying strong interactions, with applications ranging from extractions of the strong coupling $\alpha_s$ to probes of jet modification in heavy-ion collisions and determination of…
Adequate simulation of non-adiabatic dynamics through conical intersection requires account for a non-trivial geometric phase (GP) emerging in electronic and nuclear wave-functions in the adiabatic representation. Popular mixed…