On the treatment of singularities of the Watson Hamiltonian for nonlinear molecules

The applicability of the Watson Hamiltonian for the description of nonlinear molecules—especially triatomic ones—has always been questioned, as the Jacobian of the transformation that leads to the Watson Hamiltonian, vanishes at the linear configuration. This results in singular behavior of the Watson Hamiltonian, giving rise to serious numerical problems in the computation of vibrational spectra, with unphysical, spurious vibrational states appearing among the physical vibrations, especially in the region of highly excited states. In this work, we analyze the problem and propose a simple way to confine the nuclear wavefunction in such a way that the spurious solutions are eliminated. We study the water molecule and observe an improvement compared with previous results. We also apply the method to the van der Walls molecule XeHe2.

Unfolded singularities of analytic differential equations

La thèse est composée d’un chapitre de préliminaires et de deux articles sur le sujet du déploiement de singularités d’équations différentielles ordinaires analytiques dans le plan complexe. L’article Analytic classification of families of linear differential systems unfolding a resonant irregular singularity traite le problème de l’équivalence analytique de familles paramétriques de systèmes linéaires en dimension 2 qui déploient une singularité résonante générique de rang de Poincaré 1 dont la matrice principale est composée d’un seul bloc de Jordan. La question: quand deux telles familles sontelles équivalentes au moyen d’un changement analytique de coordonnées au voisinage d’une singularité? est complètement résolue et l’espace des modules des classes d’équivalence analytiques est décrit en termes d’un ensemble d’invariants formels et d’un invariant analytique, obtenu à partir de la trace de la monodromie. Des déploiements universels sont donnés pour toutes ces singularités. Dans l’article Confluence of singularities of non-linear differential equations via Borel–Laplace transformations on cherche des solutions bornées de systèmes paramétriques des équations non-linéaires de la variété centre de dimension 1 d’une singularité col-noeud déployée dans une famille de champs vectoriels complexes. En général, un système d’ÉDO analytiques avec une singularité double possède une unique solution formelle divergente au voisinage de la singularité, à laquelle on peut associer des vraies solutions sur certains secteurs dans le plan complexe en utilisant les transformations de Borel–Laplace. L’article montre comment généraliser cette méthode et déployer les solutions sectorielles. On construit des solutions de systèmes paramétriques, avec deux singularités régulières déployant une singularité irrégulière double, qui sont bornées sur des domaines «spirals» attachés aux deux points singuliers, et qui, à la limite, convergent vers une paire de solutions sectorielles couvrant un voisinage de la singularité confluente. La méthode apporte une description unifiée pour toutes les valeurs du paramètre.

Singularities of optimal control problems on some 6-D lie groups

This paper considers the motion planning problem for oriented vehicles travelling at unit speed in a 3-D space. A Lie group formulation arises naturally and the vehicles are modeled as kinematic control systems with drift defined on the orthonormal frame bundles of particular Riemannian manifolds, specifically, the 3-D space forms Euclidean space E-3, the sphere S-3, and the hyperboloid H'. The corresponding frame bundles are equal to the Euclidean group of motions SE(3), the rotation group SO(4), and the Lorentz group SO (1, 3). The maximum principle of optimal control shifts the emphasis for these systems to the associated Hamiltonian formalism. For an integrable case, the extremal curves are explicitly expressed in terms of elliptic functions. In this paper, a study at the singularities of the extremal curves are given, which correspond to critical points of these elliptic functions. The extremal curves are characterized as the intersections of invariant surfaces and are illustrated graphically at the singular points. It. is then shown that the projections, of the extremals onto the base space, called elastica, at these singular points, are curves of constant curvature and torsion, which in turn implies that the oriented vehicles trace helices.

On a class of non-self-adjoint periodic eigenproblems with boundary and interior singularities

We prove that all the eigenvalues of a certain highly non-self-adjoint Sturm–Liouville differential operator are real. The results presented are motivated by and extend those recently found by various authors (Benilov et al. (2003) [3], Davies (2007) [7] and Weir (2008) [18]) on the stability of a model describing small oscillations of a thin layer of fluid inside a rotating cylinder.

Topological invariants of isolated complete intersection curve singularities

In this paper we present some formulae for topological invariants of projective complete intersection curves with isolated singularities in terms of the Milnor number, the Euler characteristic and the topological genus. We also present some conditions, involving the Milnor number and the degree of the curve, for the irreducibility of complete intersection curves.

Generalized partition function zeros of 1D spin models and their critical behavior at edge singularities

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Critical behavior at edge singularities in one-dimensional spin models

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Implicit differential equations with impasse singularities and singular perturbation problems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

On pairs of regular foliations in R(3) and singularities of map-germs

We study germs of pairs of codimension one regular foliations in R(3) . We show that the discriminant of the pair determines the topological type of the pair. We also consider various classifications of the singularities of the discriminant.

On the number of singularities in generic deformations of map germs

Let f:C-n, 0 --> C-p, 0 be a K-finite map germ, and let i = (i(1),..., i(k)) be a Boardman symbol such that Sigma(i) has codimension n in the corresponding jet space J(k)(n, p). When its iterated successors have codimension larger than n, the paper gives a list of situations in which the number of Sigma(i) points that appear in a generic deformation of f can be computed algebraically by means of Jacobian ideals of f. This list can be summarised in the following way: f must have rank n - i(1) and, in addition, in the case p = 6, f must be a singularity of type Sigma(i2.i2).

Fold, transcritical and pitchfork singularities for time-reversible systems

This paper deals with a class of singularly perturbed reversible planar vector fields around the origin where the normal hyperbolicity assumption is not assumed. We exhibit conditions for the existence of infinitely many periodic orbits and hetero-clinic cycles converging to singular orbits with respect to the Hausdorf distance. In addition, generic normal forms of such singularities are presented.

Study of Singularities in Nonsmooth Dynamical Systems via Singular Perturbation

In this article we describe some qualitative and geometric aspects of nonsmooth dynamical systems theory around typical singularities. We also establish an interaction between nonsmooth systems and geometric singular perturbation theory. Such systems are represented by discontinuous vector fields on R(l), l >= 2, where their discontinuity set is a codimension one algebraic variety. By means of a regularization process proceeded by a blow-up technique we are able to bring about some results that bridge the space between discontinuous systems and singularly perturbed smooth systems. We also present an analysis of a subclass of discontinuous vector fields that present transient behavior in the 2-dimensional case, and we dedicate a section to providing sufficient conditions in order for our systems to have local asymptotic stability.

Alternate treatments of jacobian singularities in polar coordinates within finite-difference schemes

Jacobian singularities of differential operators in curvilinear coordinates occur when the Jacobian determinant of the curvilinear-to-Cartesian mapping vanishes, thus leading to unbounded coefficients in partial differential equations. Within a finite-difference scheme, we treat the singularity at the pole of polar coordinates by setting up complementary equations. Such equations are obtained by either integral or smoothness conditions. They are assessed by application to analytically solvable steady-state heat-conduction problems.

Stable singularities of co-rank one quasi homogeneous map germs from (ℂn+1, 0) to (ℂn, 0), n = 2, 3

In this article, we investigate the geometry of quasi homogeneous corank one finitely determined map germs from (ℂn+1, 0) to (ℂn, 0) with n = 2, 3. We give a complete description, in terms of the weights and degrees, of the invariants that are associated to all stable singularities which appear in the discriminant of such map germs. The first class of invariants which we study are the isolated singularities, called 0-stable singularities because they are the 0-dimensional singularities. First, we give a formula to compute the number of An points which appear in any stable deformation of a quasi homogeneous co-rank one map germ from (ℂn+1, 0) to (ℂn, 0) with n = 2, 3. To get such a formula, we apply the Hilbert's syzygy theorem to determine the graded free resolution given by the syzygy modules of the associated iterated Jacobian ideal. Then we show how to obtain the other 0-stable singularities, these isolated singularities are formed by multiple points and here we use the relation among them and the Fitting ideals of the discriminant. For n = 2, there exists only the germ of double points set and for n = 3 there are the triple points, named points A1,1,1 and the normal crossing between a germ of a cuspidal edge and a germ of a plane, named A2,1. For n = 3, there appear also the one-dimensional singularities, which are of two types: germs of cuspidal edges or germs of double points curves. For these singularities, we show how to compute the polar multiplicities and also the local Euler obstruction at the origin in terms of the weights and degrees. © 2013 Pushpa Publishing House.

Contact properties of surfaces in r-3 with corank 1 singularities

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)