Seams

Intersections of butts and seams of fabrication and section welds Throughout hull envelope, longitudinal and transverse bulkheads, inner bottom and hopper bottom The summation of checkpoint lengths (see note 2) examined at intersections is to be L where L is the overall length of the ship in metres... 

Here the transition state is approximated by the lowest crossing pomt on the seam intersecting the diabatic (non-interacting) potential energy surfaces of the reactant and product. The method was originally developed... 

Koga N and Morokuma K 1985 Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient Chem. Phys. Lett. 119 371... 

In the nonrelativistic case, at a given the quantity x was shown to be invariant under the hansformation in Eq. (16), for a = y = 0. This invariant, whose value depends on was used to systematically locate confluences, [18-21], intersection points at which two distinct branches of the conical intersection seam intersect. Here, we show that the scalar triple product, gij X is the invariant for q = 3. Since the g t, and h cannot be... 

From the preceding analysis, it is seen that the coordinate space neai R can be usefully partitioned into the branching space described in tenns of intersection adapted coordinates (p, 9, ) or (x,y,z) and its orthogonal complement the seam space spanned by a set of mutually orthonormal set w, = 4 — M . From Eq. (27), spherical radius p is the parameter that lifts the degeneracy linearly in the branching space spanned by x, y, and z. 

The nonrelativistic 1,2 A conical intersection seam in the H2 + OH supermolecule has been well studied [28-30] because of its role in the non-adiabatic quenching reaction... 

Further evidence of the efficacy of the algorithm for locating points of conical intersection is provided in Figure 3, which reports additional points on the 2E 2E intersection seam, detemiined by introducing the geometrical constraint. 

Figure 4. Conical parameters on the relativistic seam, (a) g (open circles), (open squares), h (open triangles). The nonrelativistic quantities, g (filled circle) and h(nr) (filled square) (b) s, w = X (circles), y (squares), z (triangles). Filled (open) markers from nonrelativistic (reladvistic) calculations, (c) Magnitude of the invariant / = g x h as a function of...

In the nonrelativistic case much has been, and continues to be, learned about the outcome of nonadiabatic processes from the locus and topography of seams of conical intersection. It will now be possible to describe nonadiabatic processes driven by conical intersections, for which the spin-orbit interaction cannot be neglected, on the same footing that has been so useful in the nonrelativistic case. This fully adiabatic approach offers both conceptual and potential computational... 

Figure 6. For = 2, the orthogonal vectors g, h and seam vectors w, = 1-3. Orthogonal g and h and three seam coordinates at...

The location of the crossing seam (or seam) for an X3 system is established from the requirement that /-ab = rec = r c, where j-ab, rec, and fAc are the interatomic distances. Since the goal are the the geometric properties produced by this seam, hyperspherical coordinates (p,0,atomic masses are equal, say iiiB = me, the seam is defined [5] by... 

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