Finding NHIM in 2 and 3 degrees-of-freedom with H\'enon-Heiles type potential

We present the capability of Lagrangian descriptors for revealing the high dimensional phase space structures that are of interest in nonlinear Hamiltonian systems with index-1 saddle. These phase space structures include normally hyperbolic invariant manifolds and their stable and unstable manifolds, and act as codimenision-1 barriers to phase space transport. The method is applied to classical two and three degrees-of-freedom Hamiltonian systems which have implications for myriad applications in physics and chemistry.Comment: 15 pages, 6 figures. This manuscript is better served as dessert to the main course: arXiv:1903.1026

Wigner's Dynamical Transition State Theory in Phase Space: Classical and Quantum

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 desired order. This leads to an efficient procedure to compute quantum reaction rates and the associated Gamov-Siegert resonances. In the classical limit the QNF reduces to the classical normal form which leads to the recently developed phase space realisation of Wigner's transition state theory. It is shown that the phase space structures that govern the classical reaction d ynamicsform a skeleton for the quantum scattering and resonance wavefunctions which can also be computed from the QNF. Several examples are worked out explicitly to illustrate the efficiency of the procedure presented.Comment: 132 pages, 31 figures, corrected version, Nonlinearity, 21 (2008) R1-R11

Green's functions for multiply connected domains via conformal mapping

A method is described for the computation of the Green's function in the complex plane corresponding to a set of K symmetrically placed polygons along the real axis. An important special case is a set of K real intervals. The method is based on a Schwarz-Christoffel conformal map of the part of the upper half-plane exterior to the problem domain onto a semi-infinite strip whose end contains K-1 slits. From the Green's function one can obtain a great deal of information about polynomial approximations, with applications in digital filters and matrix iteration. By making the end of the strip jagged, the method can be generalised to weighted Green's functions and weighted approximations

Stochastic perturbations in open chaotic systems: random versus noisy maps

We investigate the effects of random perturbations on fully chaotic open systems. Perturbations can be applied to each trajectory independently (white noise) or simultaneously to all trajectories (random map). We compare these two scenarios by generalizing the theory of open chaotic systems and introducing a time-dependent conditionally-map-invariant measure. For the same perturbation strength we show that the escape rate of the random map is always larger than that of the noisy map. In random maps we show that the escape rate $\kappa$ and dimensions $D$ of the relevant fractal sets often depend nonmonotonically on the intensity of the random perturbation. We discuss the accuracy (bias) and precision (variance) of finite-size estimators of $\kappa$ and $D$, and show that the improvement of the precision of the estimations with the number of trajectories $N$ is extremely slow ($\propto 1/\ln N$). We also argue that the finite-size $D$ estimators are typically biased. General theoretical results are combined with analytical calculations and numerical simulations in area-preserving baker maps.Comment: 12 pages, 3 figures, 1 table, manuscript submitted to Physical Review

Discrete embedded solitons

We address the existence and properties of discrete embedded solitons (ESs), i.e., localized waves existing inside the phonon band in a nonlinear dynamical-lattice model. The model describes a one-dimensional array of optical waveguides with both the quadratic (second-harmonic generation) and cubic nonlinearities. A rich family of ESs was previously known in the continuum limit of the model. First, a simple motivating problem is considered, in which the cubic nonlinearity acts in a single waveguide. An explicit solution is constructed asymptotically in the large-wavenumber limit. The general problem is then shown to be equivalent to the existence of a homoclinic orbit in a four-dimensional reversible map. From properties of such maps, it is shown that (unlike ordinary gap solitons), discrete ESs have the same codimension as their continuum counterparts. A specific numerical method is developed to compute homoclinic solutions of the map, that are symmetric under a specific reversing transformation. Existence is then studied in the full parameter space of the problem. Numerical results agree with the asymptotic results in the appropriate limit and suggest that the discrete ESs may be semi-stable as in the continuous case.Comment: A revtex4 text file and 51 eps figure files. To appear in Nonlinearit

Quantum Theory of Reactive Scattering in Phase Space

We review recent results on quantum reactive scattering from a phase space perspective. The approach uses classical and quantum versions of normal form theory and the perspective of dynamical systems theory. Over the past ten years the classical normal form theory has provided a method for realizing the phase space structures that are responsible for determining reactions in high dimensional Hamiltonian systems. This has led to the understanding that a new (to reaction dynamics) type of phase space structure, a {\em normally hyperbolic invariant manifold} (or, NHIM) is the "anchor" on which the phase space structures governing reaction dynamics are built. The quantum normal form theory provides a method for quantizing these phase space structures through the use of the Weyl quantization procedure. We show that this approach provides a solution of the time-independent Schr\"odinger equation leading to a (local) S-matrix in a neighborhood of the saddle point governing the reaction. It follows easily that the quantization of the directional flux through the dividing surface with the properties noted above is a flux operator that can be expressed in a "closed form". Moreover, from the local S-matrix we easily obtain an expression for the cumulative reactio probability (CRP). Significantly, the expression for the CRP can be evaluated without the need to compute classical trajectories. The quantization of the NHIM is shown to lead to the activated complex, and the lifetimes of quantum states initialized on the NHIM correspond to the Gamov-Siegert resonances. We apply these results to the collinear nitrogen exchange reaction and a three degree-of-freedom system corresponding to an Eckart barrier coupled to two Morse oscillators.Comment: 59 pages, 13 figure