Related papers: Quantum Transition-State Theory
Motion of particles (bodies) in presence of random effects can be considered stochastic process. However, application of widely known stochastic processes used for description of particle motion is reduced to relatively small class of…
A quasi-static process is realized in a purely quantum-mechanical model which is described by oscillator (or particle) systems having relative-phase interactions. Time development of a mixture of two oscillator (or particle) systems which…
We derive the fluctuation theorem for quantum-state statistics that can be obtained when we initially measure the total energy of a quantum system at thermal equilibrium, let the system evolve unitarily, and record the quantum-state data…
Quantum resource theories (QRTs) provide a unified theoretical framework for understanding inherent quantum-mechanical properties that serve as resources in quantum information processing, but resources motivated by physics may possess…
The experimental realization of increasingly complex synthetic quantum systems calls for the development of general theoretical methods, to validate and fully exploit quantum resources. Quantum-state tomography (QST) aims at reconstructing…
In classical statistical mechanics, the partition function is defined in phase space. We extend this concept to quantum statistical mechanics using Bohmian trajectories. The quantum partition function in phase space captures the ensemble of…
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…
Perturbation theory (PT) might be one of the most powerful and fruitful tools for both physicists and chemists, which evoked an explosion of applications with the blooming of atomic and subatomic physics. Even though PT is well-used today,…
A quantum version of transition state theory based on a quantum normal form (QNF) expansion about a saddle-centre-...-centre equilibrium point is presented. A general algorithm is provided which allows one to explictly compute QNF to any…
Quantum state tomography (QST) is a widely employed technique for characterizing the state of a quantum system. However, it is plagued by two fundamental challenges: computational and experimental complexity grows exponentially with the…
Using a generalized Langevin equation of motion, quantum ballistic thermal transport is obtained from classical molecular dynamics. This is possible because the heat baths are represented by random noises obeying quantum Bose-Einstein…
Quantum rate theory encompasses the electron-transfer rate constant concept of electrochemical reactions as a particular setting, besides demonstrating that the electrodynamics of these reactions obey relativistic quantum mechanical rules.…
Speed is the key to further advances in technology. For example, quantum technologies, such as quantum computing, require fast manipulations of quantum systems in order to overcome the effect of decoherence. However, controlling the speed…
The current understanding of finite temperature phase transitions in QCD is reviewed. A critical discussion of refined phase transition criteria in numerical lattice simulations and of analytical tools going beyond the mean-field level in…
The quantum to classical transition (QCT) is one of the central mysteries in quantum physics. This process is generally interpreted as state collapse from measurement or decoherence from interacting with the environment. Here we define the…
We show that the usefulness of the thermal state of a specific spin-lattice model for measurement-based quantum computing exhibits a transition between two distinct "phases" - one in which every state is a universal resource for quantum…
It is shown how to formulate the ubiquitous quantum chemistry problem of calculating the thermal rate constant on a quantum computer. The resulting exact algorithm scales exponentially faster with the dimensionality of the system than all…
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…
We introduce the concept of selective quantum state tomography or SQST, a tomographic scheme that enables a user to estimate arbitrary elements of an unknown quantum state using a fixed measurement record. We demonstrate how this may be…
We investigate whether making the friction spatially dependent on the reaction coordinate introduces quantum effects into the thermal reaction rates for dissipative reactions. Quantum rates are calculated using the numerically exact…