Related papers: Non-adiabatic transitions in multiple dimensions
A non-adiabatic nuclear wavepacket dynamics simulation of the H$_2$O$^+$ de-excitation process is performed based on electronic structure calculations using the variational quantum eigensolver. The adiabatic potential energy surfaces and…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
We discuss bounds for nonadiabatic transitions from the viewpoints of the adiabatic perturbation theory and the quantum speed limit. We show that the amount of nonadiabatic transitions from the $n$th level to the $m$th level is bounded by a…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
We analyze the quantum phase transition for a set of $N$-two level systems interacting with a bosonic mode in the adiabatic regime. Through the Born-Oppenheimer approximation, we obtain the finite-size scaling expansion for many physical…
The crossover from nonadiabatic to adiabatic electron transfer has been theoretically studied under a spin-boson model (dissipative two-state system) description. We present numerically exact data for the thermal transfer rate and the…
We discuss systematically several possible inequivalent ways to describe the dynamics and the transition probabilities of a quantum system when its hamiltonian is not self-adjoint. In order to simplify the treatment, we mainly restrict our…
The approach by Ettore Majorana for non-adiabatic transitions between two quasi-crossing levels is revisited. We rederive the transition probability, known as the Landau-Zener-St\"{u}ckelberg-Majorana formula, and introduce Majorana's…
Quantum technologies based on adiabatic techniques can be highly effective, but often at the cost of being very slow. Here we introduce a set of experimentally realistic, non-adiabatic protocols for spatial state preparation, which yield…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
We develop a non-adiabatic generalization of holonomic quantum computation in which high-speed universal quantum gates can be realized by using non-Abelian geometric phases. We show how a set of non-adiabatic holonomic one- and two-qubit…
We investigate the quantum mechanics of a single particle constrained to move along an arbitrary smooth reference curve by a confinement that is allowed to vary along the waveguide. The Schr\"odinger equation is evaluated in the adapted…
We study the Landau-Zener Problem for a decaying two-level-system described by a non-hermitean Hamiltonian, depending analytically on time. Use of a super-adiabatic basis allows to calculate the non-adiabatic transition probability P in the…
The anomalous dynamical evolution and the crossing of nonadiabatic energy levels are investigated for exactly solvable time-dependent quantum systems through a reverse-engineering scheme. By exploiting a typical driven model, we elucidate…
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…
Quantum transport of charge or energy in networks with discrete sites is central to diverse quantum technologies, from molecular electronics to light harvesting and quantum opto-mechanical metamaterials. A one dimensional network can be…
Systematic trends of nonuniversal behavior of electron transmission phases through a quantum dot, with no phase lapse for the transition N=1 -> N=2 and a lapse of pi for the N=2 -> N=3 transition, are predicted, in agreement with…
Every physical regime is some sort of approximation of reality. One lesser-known realm that is the semiquantal regime, which may be used to describe systems with both classical and quantum subcomponents. In the present review, we discuss…
We propose and solve a minimal model of dynamic passage through a second-order phase transition in the presence of symmetry breaking interactions and no dissipation. Our model generalizes the Hamiltonian dynamics of the Painleve'-2 equation…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…