Abstract:
We derive an effective Hamiltonian for a quantum system constrained to a submanifold (the constraint manifold) of configuration space (the ambient space) by an infinite restoring force. We pay special attention to how this Hamiltonian depends on quantities which are external to the constraint manifold, such as the external curvature of the constraint manifold, the (Riemannian) curvature of the ambient space, and the constraining potential. In particular, we find the remarkable fact that the twisting of the constraining potential appears as a gauge potential in the constrained Hamiltonian. This gauge potential is an example of geometric phase, closely related to that originally discussed by Berry. The constrained Hamiltonian also contains an effective potential depending on the external curvature of the constraint manifold, the curvature of the ambient space, and the twisting of the constraining potential. The general nature of our analysis allows applications to a wide variety of problems, such as rigid molecules, the evolution of molecular systems along reaction paths, and quantum strip waveguides.

Abstract:
We consider the dynamic escape of a small packet of ultracold atoms launched from within an optical dipole trap. Based on a theoretical analysis of the underlying nonlinear dynamics, we predict that fractal behavior can be seen in the escape data. This data would be collected by measuring the time-dependent escape rate for packets launched over a range of angles. This fractal pattern is particularly well resolved below the Bose-Einstein transition temperature--a direct result of the extreme phase space localization of the condensate. We predict that several self-similar layers of this novel fractal should be measurable and we explain how this fractal pattern can be predicted and analyzed with recently developed techniques in symbolic dynamics.

Abstract:
Recent theoretical and experimental work has demonstrated the existence of one-sided, invariant barriers to the propagation of reaction-diffusion fronts in quasi-two-dimensional periodically-driven fluid flows. These barriers were called burning invariant manifolds (BIMs). We provide a detailed theoretical analysis of BIMs, providing criteria for their existence, a classification of their stability, a formalization of their barrier property, and mechanisms by which the barriers can be circumvented. This analysis assumes the sharp front limit and negligible feedback of the front on the fluid velocity. A low-dimensional dynamical systems analysis provides the core of our results.

Abstract:
We consider the propagation of fronts in a periodically driven flowing medium. It is shown that the progress of fronts in these systems may be mediated by a turnstile mechanism akin to that found in chaotic advection. We first define the modified ("active") turnstile lobes according to the evolution of point sources across a transport boundary. We then show that the lobe boundaries may be constructed from stable and unstable \emph{burning invariant manifolds}---one-way barriers to front propagation analogous to traditional invariant manifolds for passive advection. Because the burning invariant manifolds (BIMs) are one-dimensional curves in a three-dimensional ($xy\theta$) phase space, their projection into $xy$-space exhibits several key differences from their advective counterparts: (lobe) areas are not preserved, BIMs may self-intersect, and an intersection between stable and unstable BIMs does not map to another such intersection. These differences must be accommodated in the correct construction of the new turnstile. As an application, we consider a lobe-based treatment protocol for protecting an ocean bay from an invading algae bloom.

Abstract:
The internal space for a molecule, atom, or other n-body system can be conveniently parameterised by 3n-9 kinematic angles and three kinematic invariants. For a fixed set of kinematic invariants, the kinematic angles parameterise a subspace, called a kinematic orbit, of the n-body internal space. Building on an earlier analysis of the three- and four-body problems, we derive the form of these kinematic orbits (that is, their topology) for the general n-body problem. The case n=5 is studied in detail, along with the previously studied cases n=3,4.

Abstract:
Recent theoretical and experimental investigations have demonstrated the role of certain invariant manifolds, termed burning invariant manifolds (BIMs), as one-way dynamical barriers to reaction fronts propagating within a flowing fluid. These barriers form one-dimensional curves in a two-dimensional fluid flow. In prior studies, the fluid velocity field was required to be either time-independent or time-periodic. In the present study, we develop an approach to identify prominent one-way barriers based only on fluid velocity data over a finite time interval, which may have arbitrary time-dependence. We call such a barrier a burning Lagrangian coherent structure (bLCS) in analogy to Lagrangian coherent structures (LCSs) commonly used in passive advection. Our approach is based on the variational formulation of LCSs using curves of stationary "Lagrangian shear", introduced by Farazmand, Blazevski, and Haller [Physica D 278-279, 44 (2014)] in the context of passive advection. We numerically validate our technique by demonstrating that the bLCS closely tracks the BIM for a time-independent, double-vortex channel flow with an opposing "wind".

Abstract:
The rovibrational kinetic energy for an arbitrary number of rigid molecules is computed. The result has the same general form as the kinetic energy in the molecular rovibrational Hamiltonian, although certain quantities are augmented to account for the rotational energy of the monomers. No specific choices of internal coordinates or body frame are made in order to accommodate the large variety of such conventions. However, special attention is paid to how key quantities transform when these conventions are changed. An example system is explicitly analysed as an illustration of the formalism.

Abstract:
For a three-body system, a quantum wave function $\Psi^\ell_m$ with definite $\ell$ and $m$ quantum numbers may be expressed in terms of an internal wave function $\chi^\ell_k$ which is a function of three internal coordinates. This article provides necessary and sufficient constraints on $\chi^\ell_k$ to ensure that the external wave function $\Psi^\ell_m$ is analytic. These constraints effectively amount to boundary conditions on $\chi^\ell_k$ and its derivatives at the boundary of the internal space. Such conditions find similarities in the (planar) two-body problem where the wave function (to lowest order) has the form $r^{|m|}$ at the origin. We expect the boundary conditions to prove useful for constructing singularity free three-body basis sets for the case of nonvanishing angular momentum.

Abstract:
This document is an introduction to the use of the point-centered quarter method. It briefly outlines its history, its methodology, and some of the practical issues (and modifications) that inevitably arise with its use in the field. Additionally this paper shows how data collected using point-centered quarter method sampling may be used to determine importance values of different species of trees and describes and derives several methods of estimating plant density and corresponding confidence intervals. New to this revision is an appendix of R functions to carry out these calculations.

Abstract:
A ballistic atom pump is a system containing two reservoirs of neutral atoms or molecules and a junction connecting them containing a localized time-varying potential. Atoms move through the pump as independent particles. Under certain conditions, these pumps can create net transport of atoms from one reservoir to the other. While such systems are sometimes called "quantum pumps," they are also models of classical chaotic transport, and their quantum behavior cannot be understood without study of the corresponding classical behavior. Here we examine classically such a pump's effect on energy and temperature in the reservoirs, in addition to net particle transport. We show that the changes in particle number, of energy in each reservoir, and of temperature in each reservoir vary in unexpected ways as the incident particle energy is varied.