Search arXivSearch

arXiv · nlin/0303017

Classical and semiclassical studies of the hydrogen molecule

Abstract

The hydrogen molecule contains the basic ingredients to understand the chemical bond, i.e, a pair of electrons. We show a step to understand The Correspondence Principle for chaotic system in the Chemical World. The hydrogen molecule is studied classically as an extension of the helium atom. Several types of orbits were found for two-fixed-centers system (hydrogen molecule) starting from some known orbits for one-fixed center one (helium atom), e.g., one dimension orbits as pendulum and axial and also Bohr and Langmuir's orbits. The classical stability and the single quantization of some one-dimensional periodic orbits are shown. These orbits are used to make a global quantization of that molecular chaotic system. We discuss the importance of those periodic orbits in the comprehension of the nature of chemical bond.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

A. Lopez-Castillo. 2003-03-09. Classical and semiclassical studies of the hydrogen molecule. https://arxiv.org/abs/nlin/0303017

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Final state sensitivity and fractal basin boundaries from coupled Chialvo neurons

We investigate and quantify the basin geometry and extreme final state uncertainty of two identical electrically asymmetrically coupled Chialvo neurons. The system's diverse behaviors are presented, along with the mathematical reasoning behind its chaotic and nonchaotic dynamics as determined by the structure of the coupled equations. The system is found to be multistable with two qualitatively different attractors. Although each neuron is individually nonchaotic, the chaotic basin takes up the vast majority of the coupled system's state space, but the nonchaotic basin stretches to infinity due to chance synchronization. The boundary between the basins is found to be fractal, leading to extreme final state sensitivity. This uncertainty and its potential effect on the synchronization of biological neurons may have implications for understanding neuronal biology.

nlin.CD

Jordan-Block Degeneracy and Cubic-Order Bifurcating Periodic Orbits in Minimum-Energy Optimal Control of Hamiltonian Equilibria

Equilibria of the Hamiltonian system associated with Pontryagin's minimum principle exhibit an exact doubling of the natural spectrum and, under a simple pairing condition, a Jordan block at every simple purely imaginary eigenvalue. Consequently, the classical Lyapunov Center Theorem does not apply to the augmented system, and no periodic orbit with nonzero optimal control bifurcates at linear order. We establish this mechanism in general and show that an optimal-control-induced periodic family emerges at cubic order in a Lindstedt--Poincaré expansion. The mechanism is illustrated in closed form for the pendulum and evaluated numerically for the planar $L_2$ equilibrium of Hill's restricted three-body problem, where the third-order approximation is validated against an independently computed family of periodic orbits.

nlin.CD

Hypersensitivity and Turnpikes in Optimal Control of Inverted Pendulum: A Dynamical Systems Perspective

The hypersensitivity and turnpike phenomena in the optimal control of an inverted pendulum are investigated from a dynamical-systems perspective. We show that, for a fixed terminal time and a fixed terminal state optimal control problem, (1) the hypersensitivity originates from the fractal structure of the set of initial adjoint variables in the associated Hamiltonian dynamics, (2) the turnpike arises from slow dynamics in the vicinity of a degenerate center manifold, and (3) the escape channels are formed by normally hyperbolic invariant manifolds (NHIMs). As a consequence, small perturbations in the initial adjoint variables lead to qualitatively distinct extremal trajectories, resulting in severe numerical instability in trajectory optimization. Both the fractal structure and the invariant sets are characterized numerically and analytically.

nlin.CD