# Phase-space resolved rates in driven multidimensional chemical reactions.

@article{Feldmaier2019PhasespaceRR, title={Phase-space resolved rates in driven multidimensional chemical reactions.}, author={Matthias Feldmaier and Robin Bardakcioglu and Johannes Reiff and Jorg Main and Rigoberto Hernandez}, journal={The Journal of chemical physics}, year={2019}, volume={151 24}, pages={ 244108 } }

Chemical reactions in multidimensional driven systems are typically described by a time-dependent rank-1 saddle associated with one reaction and several orthogonal coordinates (including the solvent bath). To investigate reactions in such systems, we develop a fast and robust method-viz., local manifold analysis (LMA)-for computing the instantaneous decay rate of reactants. Specifically, it computes the instantaneous decay rates along saddle-bound trajectories near the activated complex by…

## 11 Citations

### Thermal decay rates of an activated complex in a driven model chemical reaction.

- PhysicsPhysical review. E
- 2020

It is shown that the temperature dependence of the activated complex decay in a thermal system can be linked to the distribution of the phase space resolved decay rates on the NHIM in the nondissipative case.

### Controlling reaction dynamics in chemical model systems through external driving

- MathematicsPhysica D: Nonlinear Phenomena
- 2021

### Dynamics and Bifurcations on the Normally Hyperbolic Invariant Manifold of a Periodically Driven System with Rank-1 Saddle

- Mathematics
- 2020

In chemical reactions, trajectories typically turn from reactants to products when crossing a dividing surface close to the normally hyperbolic invariant manifold (NHIM) given by the intersection of…

### Identifying reaction pathways in phase space via asymptotic trajectories.

- Computer SciencePhysical chemistry chemical physics : PCCP
- 2020

A reformulated metric, called the asymptotic trajectory indicator, and an efficient algorithm to obtain reactivity boundaries are introduced and it is demonstrated that this method has sufficient accuracy to reproduce phase space structures such as turnstiles for a 1D model of the isomerization of ketene in an external field.

### Influence of external driving on decays in the geometry of the LiCN isomerization.

- PhysicsThe Journal of chemical physics
- 2020

This paper obtains decay rates of the reactant population close to the transition state by exploiting local properties of the dynamics of trajectories in and close to it and finds that the external driving has a large influence on these decay rates when compared to the non-driven isomerization reaction.

### Noise-induced switching from a symmetry-protected shallow metastable state

- PhysicsScientific Reports
- 2020

The escape rate is found and it is shown how it scales with the parameters of the oscillator and the driving, and how fluctuations spontaneously break the time-translation symmetry of a driven oscillator.

### Transition state dynamics of a driven magnetic free layer

- PhysicsCommun. Nonlinear Sci. Numer. Simul.
- 2022

### Transition state theory characterizes thin film macrospin dynamics driven by an oscillatory magnetic field: Inertial effects

- PhysicsCommun. Nonlinear Sci. Numer. Simul.
- 2022

### On the stability of satellites at unstable libration points of sun-planet-moon systems

- Physics, GeologyCommun. Nonlinear Sci. Numer. Simul.
- 2022

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