On the Born-Oppenheimer approximation of diatomic molecular resonances

We give a new reduction of a general diatomic molecular Hamiltonian, without modifying it near the collision set of nuclei. The resulting effective Hamiltonian is the sum of a smooth semiclassical pseudodifferential operator (the semiclassical parameter being the inverse of the square-root of the nuclear mass), and a semibounded operator localised in the elliptic region corresponding to the nuclear collision set. We also study its behaviour on exponential weights, and give several applications where molecular resonances appear and can be well located.Comment: 22 page

Building End-To-End Dialogue Systems Using Generative Hierarchical Neural Network Models

We investigate the task of building open domain, conversational dialogue systems based on large dialogue corpora using generative models. Generative models produce system responses that are autonomously generated word-by-word, opening up the possibility for realistic, flexible interactions. In support of this goal, we extend the recently proposed hierarchical recurrent encoder-decoder neural network to the dialogue domain, and demonstrate that this model is competitive with state-of-the-art neural language models and back-off n-gram models. We investigate the limitations of this and similar approaches, and show how its performance can be improved by bootstrapping the learning from a larger question-answer pair corpus and from pretrained word embeddings.Comment: 8 pages with references; Published in AAAI 2016 (Special Track on Cognitive Systems

Effective dynamics for particles coupled to a quantized scalar field

We consider a system of N non-relativistic spinless quantum particles (``electrons'') interacting with a quantized scalar Bose field (whose excitations we call ``photons''). We examine the case when the velocity v of the electrons is small with respect to the one of the photons, denoted by c (v/c= epsilon << 1). We show that dressed particle states exist (particles surrounded by ``virtual photons''), which, up to terms of order (v/c)^3, follow Hamiltonian dynamics. The effective N-particle Hamiltonian contains the kinetic energies of the particles and Coulomb-like pair potentials at order (v/c)^0 and the velocity dependent Darwin interaction and a mass renormalization at order (v/c)^{2}. Beyond that order the effective dynamics are expected to be dissipative. The main mathematical tool we use is adiabatic perturbation theory. However, in the present case there is no eigenvalue which is separated by a gap from the rest of the spectrum, but its role is taken by the bottom of the absolutely continuous spectrum, which is not an eigenvalue. Nevertheless we construct approximate dressed electrons subspaces, which are adiabatically invariant for the dynamics up to order (v/c)\sqrt{\ln (v/c)^{-1}}. We also give an explicit expression for the non adiabatic transitions corresponding to emission of free photons. For the radiated energy we obtain the quantum analogue of the Larmor formula of classical electrodynamics.Comment: 67 pages, 2 figures, version accepted for publication in Communications in Mathematical Physic

Molecular scattering and Born\u2013Oppenheimer approximation

In this paper, we study the scattering wave operators for diatomic molecules by using the Born\u2013Oppenheimer approximation. Assuming that the ratio h2 between the electronic and nuclear masses is small, we construct adiabatic wave operators that, under some non-trapping conditions, approximate the two-cluster wave operators up to any power of the parameter h

Widths of highly excited resonances in multidimensional molecular predissociation

We investigate the simple resonances of a 2 by 2 matrix of n-dimensional semiclassical Schr\uf6dinger operators that interact through a first order differential operator. We assume that one of the two (analytic) potentials admits a well with non empty interior, while the other one is non trapping and creates a barrier between the well and infinity. Under a condition on the resonant state inside the well, we find an optimal lower bound on the width of the resonance. The method of proof relies on Carleman estimates, microlocal propagation of the microsupport, and a refined study of a non involutive double characteristic problem in the framework of Sj\uf6strand's analytic microlocal theory

Born-Oppenheimer Reduction of Quantum Evolution of Molecules

We construct an abstract pseudodifferential calculus with operator-valued symbol, adapted to the treatment of Coulomb-type interactions, and we apply it to study the quantum evolution of molecules in the Born-Oppenheimer approximation, in the case where the electronic Hamiltonian admits a local gap in its spectrum. In particular, we show that the molecular evolution can be reduced to the one of a system of smooth semiclassical operators, the symbol of which can be computed explicitely. In addition, we study the propagation of certain wave packets up to long time values of Ehrenfest order