Related papers: Classical reactive scattering in a quantum spirit:…
The extension of mixed quantum/classical theory (MQCT) to describe collisional energy transfer is developed for symmetric-top-rotor + linear-rotor system type and is applied to $ \rm ND_3 + \rm D_2 $. State-to-state transition cross…
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
This dissertation unifies one of the central methods of classical rate calculation, `Transition-State Theory' (TST), with quantum mechanics, thereby deriving a rigorous `Quantum Transition-State Theory' (QTST). The resulting QTST is…
The dynamics of the C($^{3}$P) + O$_{2}$($^3\Sigma_{g}^{-}$) $\rightarrow$ CO($^{1}\Sigma^{+}$)+ O($^{1}$D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical…
We review recent results on quantum reactive scattering from a phase space perspective. The approach uses classical and quantum versions of normal form theory and the perspective of dynamical systems theory. Over the past ten years the…
The quantum normal form approach to quantum transition state theory is used to compute the cumulative reaction probability for collinear exchange reactions. It is shown that for heavy atom systems like the nitrogen exchange reaction the…
We investigate quantum phase transitions (QPTs) in spin chain systems characterized by local Hamiltonians with matrix product ground states. We show how to theoretically engineer such QPT points between states with predetermined properties.…
One major objective of controlling classical chaotic dynamical systems is exploiting the system's extreme sensitivity to initial conditions in order to arrive at a predetermined target state. In a recent letter [Phys.~Rev.~Lett. 130, 020201…
We consider $N_a$ three-level atoms (or systems) interacting with a one-mode electromagnetic field in the dipolar and rotating wave approximations. The order of the quantum phase transitions is determined explicitly for each of the…
We propose a general scheme for dissipatively preparing arbitrary pure quantum states on a multipartite qubit register in a finite number of basic control blocks. Our "splitting-subspace" approach relies on control resources that are…
Mixed quantum/classical theory (MQCT) for the treatment of rotationally inelastic transitions during collisions of two identical molecules, described either as indistinguishable or distinguishable partners, is reviewed. The treatment of two…
This study aims to address the nature of state change, measurement, and probabilistic outcomes in non-relativistic quantum mechanics. We consider a pair of particles that interact in a one-dimensional setting via a delta-function potential.…
We use spin coherent states to compare classical and quantum evolution of a simple paradigmatic, discrete-time quantum dynamical system exhibiting chaotic behavior in the classical limit. The spin coherent states are employed to define a…
We construct a class of systems for which quantum dynamics can be expanded around a mean field approximation with essentially classical content. The modulus of the quantum overlap of mean field states naturally introduces a classical…
We present a comprehensive analysis of the emerging order and chaos and enduring symmetries, accompanying a generic (high-barrier) first-order quantum phase transition (QPT). The interacting boson model Hamiltonian employed, describes a QPT…
A quasi classical approximation to quantum mechanical scattering in the Moeller formalism is developed. While keeping the numerical advantage of a standard Classical--Trajectory--Monte--Carlo calculation, our approach is no longer…
We prove that most quasi-distributions can be written in a form similar to that of the de Broglie-Bohm distribution, except that ordinary products are replaced by some suitable non-commutative star product. In doing so, we show that the…
The probability density distributions for the ground states of certain model systems in quantum mechanics and for their classical counterparts are considered. It is shown, that classical distributions are remarkably improved by…
Using the method of quantum trajectories we study a quantum chaotic dissipative ratchet appearing for particles in a pulsed asymmetric potential in the presence of a dissipative environment. The system is characterized by directed transport…