Related papers: Quantum Transition-State Theory
In this paper we discuss and analyse the idea of trying to see (non-relativistic) quantum mechanics as a ``space-time statistical mechanics'', by using the classical statistical mechanical method on objective microscopic space-time…
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…
The characterization of quantum states is a fundamental step of any application of quantum technologies. Nowadays there exist several approaches addressing this problem, also based on machine and deep learning techniques. However, all these…
A statistical-mechanical treatment of collision leads to a formal connection with transition-state theory, suggesting that collision theory and transition-state theory might be joined ultimately as a collision induced transition state…
The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase…
Quantum state tomography (QST) is an essential technique for characterizing quantum states. However, practical implementations of QST are significantly challenged by factors such as shot noise, attenuation, and Raman scattering, especially…
Our knowledge about the "cold" Universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires…
Quantum theory predicts probabilities as well as relative phases between different alternatives of the system. A unified description of both probabilities and phases comes through a generalisation of the notion of a density matrix for…
The development of large-scale platforms for quantum information requires new methods for verification and validation of quantum behavior. Quantum tomography (QT) is the standard tool for diagnosing quantum states, process, and readout…
There ought to exist a description of quantum field theory which does not depend on an external classical time. To achieve this goal, in a recent paper we have proposed a non-commutative special relativity in which space-time and matter…
The conformational change of biological macromolecule is investigated from the point of quantum transition. A quantum theory on protein folding is proposed. Compared with other dynamical variables such as mobile electrons, chemical bonds…
The framework of transition state theory (TST) provides a powerful way for analyzing the dynamics of physical and chemical reactions. While TST has already been successfully used to obtain reaction rates for systems with a single…
In a recent formulation of a quantum field theory of forward rates, the volatility of the forward rates was taken to be deterministic. The field theory of the forward rates is generalized to the case of stochastic volatility. Two cases are…
A causal, non-Hermitian, renormalizable, local, unitary and Lorentz convariant formulation of Quantum Theory (QT) (= Quantum Mechanics (QM) and Quantum Field Theory (QFT)) is developed which is free of formalistic problems we face in the…
We introduce a new Forward-Flux Sampling in Time (FFST) algorithm to efficiently measure transition times in rare-event processes in non-equilibrium systems, and apply it to study the first-order (discontinuous) kinetic transition in the…
We investigate signatures of the excited-state quantum phase transition in the periodic dynamics of the Lipkin-Meshkov-Glick model and the Tavis-Cummings model. In the thermodynamic limit, expectation values of observables in eigenstates of…
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…
We derive the semiclassical series for the partition function in Quantum Statistical Mechanics (QSM) from its path integral representation. Each term of the series is obtained explicitly from the (real) minima of the classical action. The…
Robust quantum state transfer (QST) is an indispensable ingredient in scalable quantum information processing. Here we present an experimentally feasible mechanism for realizing robust QST via topologically protected edge states in…
It has been shown that both the electron-transfer rate constant of an electrochemical reaction and the conductance quantum are correlated with the concept of quantum capacitance. This simple association between the two separate concepts has…