Related papers: Transition-state dynamics in complex quantum syste…
Equilibrium phase transitions are associated with rearrangements of minima of a (Lagrangian) potential. Treatment of non-equilibrium systems requires doubling of degrees of freedom, which may be often interpreted as a transition from the…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
A thermodynamic model of a plasma boundary layer, characterized by enhanced temperature contrasts is proposed. The theory is constructed to determine the inner boundary temperature $T_1$ for a specified outer (colder) boundary temperature…
We overview the concept of dynamical phase transitions in isolated quantum systems quenched out of equilibrium. We focus on non-equilibrium transitions characterized by an order parameter, which features qualitatively distinct temporal…
The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two…
A quantum finite multi-barrier system, with a periodic potential, is considered and exact expressions for its plane wave amplitudes are obtained using the Transfer Matrix method [10]. This quantum model is then associated with a stochastic…
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…
A theoretical description of quantum mechanical steady states is developed. Applications for simple quantum mechanical systems described in terms of coupled level structures yield a formulation equivalent to time independent scattering…
We investigate quantum phase transitions (QPTs) in spin chain systems characterized by local Hamiltonians with matrix product ground states. We show how to theoretically engineer such QPT points between states with predetermined properties.…
Quantum Phase Transition (QPT) is a phase transition between different quantum states by adjusting some control parameters. Based on the Principle of Hamilton Dynamics (PHD) and the Principle of Lagrangian Dynamics (PLD), a general QPT…
Electron Transfer (ET) reactions are modeled by the dynamics of a quantum two-level system (representing the electronic state) coupled to a thermalized bath of classical harmonic oscillators (representing the nuclei degrees of freedom).…
Classical phase transitions, like solid-liquid-gas or order-disorder spin magnetic phases, are all driven by thermal energy fluctuations by varying the temperature. On the other hand, quantum phase transitions happen at absolute zero…
A model multilevel molecule described by two sets of rotational internal energy levels of different parity and degenerate ground states, coupled by a constant interaction, is considered, by assuming that the random collisions in a gas of…
Nuclear fission at barrier-top energies is conventionally modeled by a one-dimensional Schr\"odinger equation applied to internal fission channels, but that treatment is hard to justify in the configuration-interaction approach to nuclear…
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…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…
The dynamics near the top of a potential barrier is studied in the temperature region where quantum effects become important. The time evolution of the density matrix of a system that deviates initially from equilibrium in the vicinity of…
Near a quantum critical point (QCP) in a metal, strong Fermion-Fermion interactions mediated by soft collective bosons give rise to two competing phenomena: non-Fermi liquid behavior and superconductivity that deviates from conventional BCS…
Decoherence of a quantum system (which then starts to display classical features) results from the interaction of the system with the environment, and is well described in the framework of the theory of continuous quantum measurements…
A quantum system in contact with a heat bath undergoes quantum transitions between energy levels upon absorption or emission of energy quanta by the bath. These transitions remain virtual unless the energy of the system is measured…