interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to tspp)with na+ has been examined using hf level of theory with 6-31g* basis set. counterpoise (cp)correction has been used to show the extent of the basis set superposition error (bsse) on thepotential energy curves. the numbers of na+ have a significant effect on the calculated potentialenergy curve (includ...

Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP)with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP)correction has been used to show the extent of the basis set superposition error (BSSE) on thepotential energy curves. The numbers of Na+ have a significant effect on the calculated potentialenergy curve (includ...

Inspired by the works of Forman on discrete Morse theory, which is a combinatorial adaptation to cell complexes of classical Morse theory on manifolds, we introduce a discrete analogue of the stratified Morse theory of Goresky and MacPherson [17]. We describe the basics of this theory and prove fundamental theorems relating the topology of a general simplicial complex with the critical simplice...

Given a Lagrangian submanifold in a symplectic manifold and a Morse function on the submanifold, we show that there is an isotopic Morse function and a symplectic Lefschetz pencil on the manifold extending the Morse function to the whole manifold. From this construction we define a sequence of symplectic invariants classifying the isotopy classes of Lagrangian spheres in a symplectic 4-manifold.

We discuss generic smooth maps from smooth manifolds to smooth surfaces, which we call "Morse 2-functions," and homotopies between such maps. The two central issues are to keep the fibers connected, in which case the Morse 2-function is "fiber-connected," and to avoid local extrema over one-dimensional submanifolds of the range, in which case the Morse 2-function is "indefinite." This is founda...

The counting function on the natural numbers defines a discrete Morse-Smale complex with a cohomology for which topological quantities like Morse indices, Betti numbers or counting functions for critical points of Morse index are explicitly given in number theoretical terms. The Euler characteristic of the Morse filtration is related to the Mertens function, the Poincaré-Hopf indices at critica...

Let f be a Morse function on a closed manifold M , and v be a Riemannian gradient of f satisfying the transversality condition. The classical construction (due to Morse, Smale, Thom, Witten), based on the counting of flow lines joining critical points of the function f associates to these data the Morse complex M * (f, v). In the present paper we introduce a new class of vector fields (f-gradie...

Take M , a finite-dimensional differentiable manifold, and f : M → R a smooth function. Such a function f is called a Morse function if it has no degenerate critical points. Morse theory allows us to connect the topology, in particular the homotopy type, of M with the behavior of f on M . In the following sections, we will state and prove two important theorems in Morse theory. Using these two ...

A discrete Morse function for a simplicial complex describes how to construct a homotopy equivalent CW-complex with hopefully fewer cells. We associate a boolean function with the simplicial complex and construct a discrete Morse function using its Fourier transform. Methods from theoretical computer science by O’Donnell, Saks, Schramm, and Servedio, together with experimental data on complexes...