Related papers: Can quantum transition state theory be defined as …
We introduce a framework for computing time-dependent quantum transition rates (QTRs) that describe the pace of evolution of a quantum state from a given subspace to a target subspace. QTRs are expressed in terms of flux-flux correlators…
Quantum state tomography (QST), the process of reconstructing some unknown quantum state $\hat\rho$ from repeated measurements on copies of said state, is a foundationally important task in the context of quantum computation and simulation.…
Quantum state transfer (QST) describes the coherent passage of quantum information from one node in a network to another. Experiments on QST span a diverse set of platforms and currently report transport across up to tens of nodes in times…
A model is proposed for studying the reaction dynamics in complex quantum systems in which the complete mixing of states is hindered by an internal barrier. Such systems are often treated by the transition-state theory, also known in…
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models. To reduce the reliance on these estimates and…
We describe a path-integral molecular dynamics implementation of our recently developed golden-rule quantum transition-state theory (GR-QTST). The method is applied to compute the reaction rate in various models of electron transfer and…
The quantum theory (QT) and new stochastic approaches have no deterministic prediction for a single measurement or for a single time -series of events observed for a trapped ion, electron or any other individual physical system. The…
Quantum state transfer (QST) provides a method to send arbitrary quantum states from one system to another. Such a concept is crucial for transmitting quantum information into the quantum memory, quantum processor, and quantum network. The…
We propose a new point of view regarding the problem of time in quantum mechanics, based on the idea of replacing the usual time operator $\mathbf{T}$ with a suitable real-valued function $T$ on the space of physical states. The proper…
A systematic method for the computation of finite temperature ($T$) crossover functions near quantum critical points close to, or above, their upper-critical dimension is devised. We describe the physics of the various regions in the $T$…
A quantum system can undergo a continuous phase transition at the absolute zero of temperature as some parameter entering its Hamiltonian is varied. These transitions are particularly interesting for, in contrast to their classical finite…
A general semiclassical theory for the calculation of reaction rate constants is developed. The theory can be understood as a formal framework that encompasses existing semiclassical methods: instanton theory and semiclassical transition…
Transition Path Theory (TPT) provides a rigorous framework to investigate the dynamics of rare thermally activated transitions. In this theory, a central role is played by the forward committor function q^+(x), which provides the ideal…
Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when…
We present a simple method for the calculation of reaction rates in the Fermi golden-rule limit, which accurately captures the effects of tunnelling and zero-point energy. The method is based on a modification of the recently proposed…
The atmospheric reaction of H$_2$S with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of the reaction rate because of strong recrossing effects and…
We reconsider the problem of the interpretation of the Quantum Theory (QT) in the perspective of the entire universe and of Bphr idea that the classical language is the language of our experience and QT acquires a meaning only with a…
The stochastic theory of non-relativistic quantum mechanics presented here relies heavily upon the theory of stochastic processes, with its definitions, theorems and specific vocabulary as well. Its main hypothesis states indeed that the…
Quantum state tomography (QST) is the process of reconstructing the state of a quantum system (mathematically described as a density matrix) through a series of different measurements, which can be solved by learning a parameterized…
Transition states or quantum states of zero energy appear at the boundary between the discrete part of the spectrum of negative energies and the continuum part of positive energy states. As such, transition states can be regarded as a…