Chaotic phase space

Different methods have been developed either for a rapid computation of the LCIs (Cincotta and Simo 2000) or for detecting the structure of the phase space (chaotic zones, weak chaos, regular resonant motion, invariant tori). Especially for this last purpose we quote the frequency map analysis (Laskar 1990, Laskar et al. 1992, Laskar 1993, Lega and Froeschle 1996), the sup-map method (Laskar 1994, Froeschle and Lega 1996), and more recently the fast Lyapunov indicator (hereafter FLI, Froeschle et al. 1997, Froeschle et al. 2000) and the Relative Lyapunov Indicator (Sandor et al. 2000). The definitions and comparisons between different methods including a preliminary version of the FLI have been discussed in Froeschle and Lega (1998, 1999). 

Figure Al.2.7. Trajectory of two coupled stretches, obtained by integrating Hamilton s equations for motion on a PES for the two modes. The system has stable anhamionic synmretric and antisyimnetric stretch modes, like those illustrated in figrne Al.2.6. In this trajectory, semiclassically there is one quantum of energy in each mode, so the trajectory corresponds to a combination state with quantum numbers nj = [1, 1]. The woven pattern shows that the trajectory is regular rather than chaotic, corresponding to motion in phase space on an invariant torus.

The question of non-classical manifestations is particularly important in view of the chaos that we have seen is present in the classical dynamics of a multimode system, such as a polyatomic molecule, with more than one resonance coupling. Chaotic classical dynamics is expected to introduce its own peculiarities into quantum spectra [29, 77]. In Fl20, we noted that chaotic regions of phase space are readily seen in the classical dynamics corresponding to the spectroscopic Flamiltonian. Flow important are the effects of chaos in the observed spectrum, and in the wavefiinctions of tire molecule In FI2O, there were some states whose wavefiinctions appeared very disordered, in the region of the... 

For certain parameter values tliis chemical system can exlribit fixed point, periodic or chaotic attractors in tire tliree-dimensional concentration phase space. We consider tire parameter set... 

Chaotic attractors are complicated objects with intrinsically unpredictable dynamics. It is therefore useful to have some dynamical measure of the strength of the chaos associated with motion on the attractor and some geometrical measure of the stmctural complexity of the attractor. These two measures, the Lyapunov exponent or number [1] for the dynamics, and the fractal dimension [10] for the geometry, are related. To simplify the discussion we consider tliree-dimensional flows in phase space, but the ideas can be generalized to higher dimension. 

The Hemian-Kluk method has been developed further [153-155], and used in a number of applications [156-159]. Despite the formal accuracy of the approach, it has difficulties, especially if chaotic regions of phase space are present. It also needs many trajectories to converge, and the initial integration is time consuming for large systems. Despite these problems, the frozen Gaussian approximation is the basis of the spawning method that has been applied to... 

In contrast to dissipative dynamical systems, conservative systems preserve phase-space volumes and hence cannot display any attracting regions in phase space there can be no fixed points, no limit cycles and no strange attractors. There can nonetheless be chaotic motion in the sense that points along particular trajectories may show sensitivity to initial conditions. A familiar example of a conservative system from classical mechanics is that of a Hamiltonian system. 

Since V(t) = V(0) for all times t in conservative systems, Ap = 0. The presence of attractors in dissipative systems, on the other hand, implies that the available phase space volume is contracting, and thus that Ap < 0. Since chaotic motion (either in conservative or dissipative systems) yields Ai > 0, this therefore also means that, in dissipative systems, the phase space volume is both expanding along certain directions and contracting along others. 

Reinhardt, W. P. (1989), Adiabatic Switching A Tool for Semiclassical Quantization and a New Probe of Classically Chaotic Phase Space, Adv. Chem. Phys. 73, 925. 

The single Kerr anharmonic oscillator has one more interesting feature. It is obvious that for Cj = 0 and y- = 0, the Kerr oscillator becomes a simple linear oscillator that in the case of a resonance 00, = (Do manifests a primitive instability in the phase space the phase point draws an expanding spiral. On adding the Kerr nonlinearity, the linear unstable system becomes highly chaotic. For example, putting A t = 200, (D (Dq 1, i = 0.1 and yj = 0, the spectrum of Lyapunov exponents for the first oscillator is 0.20,0, —0.20 1. However, the system does not remain chaotic if we add a small damping. For example, if yj = 0.05, then the spectrum of Lyapunov exponents has the form 0.00, 0.03, 0.12 1, which indicates a limit cycle. 

The stability matrix carries the necessary information related to the vicinity of the trajectory and provides an efficient numerical procedure for computing the response function. It plays an important role in the field of classical chaos the sign of its eigenvalues (related to the Lyapunov exponents) controls the chaotic nature of the system. Interference effects in classical response functions have a different origin than their quantum counterparts. For each initial phase-space point we need to launch two trajectories with very close initial conditions. [For 5(n) we need n trajectories.] The nonlinear response is obtained by adding the contributions of these trajectories and letting them interfere. 

In tetra-atomic molecules that are linear, the number of degrees of freedom is F =7, which again considerably complicates the analysis. Nevertheless, the dynamics of such systems can turn out to be tractable if the anharmonicities may be considered as perturbations with respect to the harmonic zero-order Hamiltonian. In such cases, the regular classical motions remain dominant in phase space as compared with the chaotic zones, and the edge periodic orbits of subsystems again form a skeleton for the bulk periodic orbits. 

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