Related papers: Path integral formulation for quantum nonadiabatic…
There is currently much interest in the development of improved trajectory-based methods for the simulation of nonadiabatic processes in complex systems. An important goal for such methods is the accurate calculation of the rate constant…
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one and three dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three…
Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…
We present a semiclassical quantization condition, i.e., quantum-classical correspondence, for steady states of nonadiabatic systems consisting of fast and slow degrees of freedom (DOFs) by extending Gutzwiller's trace formula to a…
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…
The system undergoes adiabatic evolution when its population in the instantaneous eigenbasis of its time-dependent Hamiltonian changes only negligibly. Realization of such dynamics requires slow-enough changes of the parameters of the…
In this contribution a path integral approach for the quantum motion on three-dimensional spaces according to Koenigs, for short``Koenigs-Spaces'', is discussed. Their construction is simple: One takes a Hamiltonian from three-dimensional…
Consistent dynamics which couples classical and quantum degrees of freedom exists. This dynamics is linear in the hybrid state, completely positive and trace preserving. Starting from completely positive classical-quantum master equations,…
Error correction is generally demanded in large-scale quantum information processing and quantum computation. We provide here a universal and realtime control strategy to dynamically correct the arbitrary type of errors in the system…
We present a new formulation for the emergence of classical dynamics in a quantum world by considering a path integral approach that also incorporates continuous measurements. Our program is conceptually different from the decoherence…
Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection. The adiabatic, exact quasidiabatic, and strictly diabatic…
Quantum manipulation based on geometric phases provides a promising way towards robust quantum gates. However, in the current implementation of nonadiabatic geometric phases, operational and/or random errors tend to destruct the conditions…
We propose to measure nonadiabaticity of molecular quantum dynamics rigorously with the quantum fidelity between the Born-Oppenheimer and fully nonadiabatic dynamics. It is shown that this measure of nonadiabaticity applies in situations…
We recently derived a spin-mapping approach for treating the nonadiabatic dynamics of a two-level system in a classical environment [J. Chem. Phys. 151, 044119 (2019)] based on the well-known quantum equivalence between a two-level system…
Non-adiabatic and non-closed evolutionary paths play a significant role in the fidelity of quantum gates. We propose a high-fidelity quantum control framework based on the quasi-topological number ($\nu_{\text{qua}}$), which extends the…
We propose an experimentally feasible scheme to achieve quantum computation based on nonadiabatic geometric phase shifts, in which a cyclic geometric phase is used to realize a set of universal quantum gates. Physical implementation of this…
We develop a dynamical symmetry approach to path integrals for general interacting quantum spin systems. The time-ordered exponential obtained after the Hubbard-Stratonovich transformation can be disentangled into the product of a finite…
Recently, nonadiabatic geometric quantum computation has been received much attention, due to its fast manipulation and intrinsic error-resilience characteristics. However, to obtain universal geometric quantum control, only limited and…
We develop a unified quantum geometric framework to understand reactive quantum dynamics. The critical roles of the quantum geometry of adiabatic electronic states in both adiabatic and non-adiabatic quantum dynamics are unveiled. A…
A path integral (Lagrangian formalism) is used to derive the effective equations of motion of the anomalous Hall effect with Berry's phase on the basis of the adiabatic condition $|E_{n\pm1}-E_{n}|\gg 2\pi\hbar/T$, where $T$ is the typical…