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We propose an efficient method to compute reaction rate constants of thermally activated processes occurring in many-body systems at finite temperature. The method consists in two steps: first, paths are sampled using a transition path…
The landscape of causal relations that can hold among a set of systems in quantum theory is richer than in classical physics. In particular, a pair of time-ordered systems can be related as cause and effect or as the effects of a common…
Time-symmetric quantum mechanics can be described in the usual Weyl--Wigner--Moyal formalism (WWM) by using the properties of the Wigner distribution, and its generalization, the cross-Wigner distribution. The use of the latter makes clear…
We give a review of concepts related to connection of classical and quantum theories, from the phase space perspective. Quantum theory is described by non-commutative operators of coordinates and momenta, results in values having a certain…
In the arrival time problem in quantum mechanics, a standard formula that frequently emerges as the probability for crossing the origin during a given time interval is the current integrated over that time interval. This is semiclassically…
The dynamics at the critical-point of a general first-order quantum phase transition in a finite system is examined, from an algebraic perspective. Suitable Hamiltonians are constructed whose spectra exhibit coexistence of states…
The action reaction principle is violated by the projection of state in some simple quantum measurements. A formulation of Quantum Mechanics in an extended phase space is proposed in order to restore the action reaction principle. All…
We develop an adaptive method for quantum state preparation that utilizes randomness as an essential component and that does not require classical optimization. Instead, a cost function is minimized to prepare a desired quantum state…
The recently established resource theory of quantum coherence allows for a quantitative understanding of the superposition principle, with applications reaching from quantum computing to quantum biology. While different quantifiers of…
We develop an approach where the quantum system states and quantum observables are described as in classical statistical mechanics -- the states are identified with probability distributions and observables, with random variables. An…
We present a closed-form, computable expression for the expected number of times any transition event occurs during the transient phase of a reducible Markov chain. Examples of events include time to absorption, number of visits to a state,…
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…
We calculate the equation of state of dense hydrogen within the chemical picture. Fluid variational theory is generalized for a multi-component system of molecules, atoms, electrons, and protons. Chemical equilibrium is supposed for the…
The calculation of quantum canonical time correlation functions is considered in this paper. Transport properties, such as diffusion and reaction rate coefficients, can be determined from time integrals of these correlation functions.…
Quantum operations describe any state change allowed in quantum mechanics, including the evolution of an open system or the state change due to a measurement. In this letter we present a general method based on quantum tomography for…
In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown,…
A probabilistic interpretation of one-particle relativistic quantum mechanics is proposed. Quantum Action Principle formulated earlier is used for to make the dynamics of the Minkowsky time variable of a particle to be classical. After…
We show that a quantum state may be represented as the sum of a joint probability and a complex quantum modification term. The joint probability and the modification term can both be observed in successive projective measurements. The…
The probability that a configuration of a physical system reacts, or transitions from one metastable state to another, is quantified by the committor function. This function contains richly detailed mechanistic information about transition…
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…