Related papers: A unified framework for semiclassical reaction rat…
In this paper we develop the formalism for the stochastic approach to inflation at all order in slow-roll parameters. This is done by including the momentum and Hamiltonian constraints into the stochastic equations. We then specialise to…
For some centuries, first order chemical rate constants were determined mainly by a linear logarithmic plot of reagent concentration terms against time where the initial concentration was required, which is experimentally often a…
In the presence of multiscale dynamics in a reaction network, direct simulation methods become inefficient as they can only advance the system on the smallest scale. This work presents stochastic averaging techniques to accelerate…
Within the framework of the instanton approach we present analytical results for the following model problems: (i) particle penetration through a parabolic potential barrier, where the instanton solution practically coincides with the exact…
Spatial multiscale methods have established themselves as useful tools for extending the length scales accessible by conventional statics (i.e., zero temperature molecular dynamics). Recently, extensions of these methods, such as the…
We apply the newly derived nonadiabatic golden-rule instanton theory to asymmetric models describing electron-transfer in solution. The models go beyond the usual spin-boson description and have anharmonic free-energy surfaces with…
We give a summary of the status of current research in stochastic semiclassical gravity and suggest directions for further investigations. This theory generalizes the semiclassical Einstein equation to an Einstein-Langevin equation with a…
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…
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…
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 study the path-integral formalism in the imaginary-time to show its validity in a case with a metastable ground state. The well-known method based on the bounce solution leads to the imaginary part of the energy even for a state that is…
The primary emphasis of this work on kinetics is to illustrate the a posteriori approach to applications, where focus on data leads to novel outcomes, rather than the a priori tendencies of applied analysis which imposes constructs on the…
Transition path theory provides a statistical description of the dynamics of a reaction in terms of local spatial quantities. In its original formulation, it is limited to reactions that consist of trajectories flowing from a reactant set A…
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 Response Function Theory and Scattering Theory applicable to the study of physical properties of systems driven arbitrarily away from equilibrium, specialized for dealing with ultrafast processes and in conditions of space resolution…
Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the…
I discuss a formalism for computing quantum scattering amplitudes using a semiclassical expansion of a functional integral representation for the S-matrix. The classical background for the expansion is determined by solving the equations of…
Stochastic semiclassical gravity is a theory for the interaction of gravity with quantum matter fields which goes beyond the semiclassical limit. The theory predicts stochastic fluctuations of the classical gravitational field induced by…
Stochastic Structural Stability Theory (SSST) provides an autonomous, deterministic, nonlinear dynamical system for evolving the statistical mean state of a turbulent system. In this work SSST is applied to the problem of understanding the…
The semiclassical Boltzmann equation is widely used to study transport effects. However, being semiclassical and borrowing heavily from classical mechanics, the formalism calls for verification from the perspective of quantum mechanics.…