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In mathematics, the method of steepest descent or saddle-point method is an extension of Laplace's method for approximating an integral, where one deforms a contour integral in the complex plane to pass near a stationary point (saddle point), in roughly the direction of steepest descent or stationary phase. The saddle-point approximation is ...
A saddle point (in red) on the graph of z = x 2 − y 2 (hyperbolic paraboloid). In mathematics, a saddle point or minimax point [1] is a point on the surface of the graph of a function where the slopes (derivatives) in orthogonal directions are all zero (a critical point), but which is not a local extremum of the function. [2]
Stationary points (or points with a zero gradient) have physical meaning: energy minima correspond to physically stable chemical species and saddle points correspond to transition states, the highest energy point on the reaction coordinate (which is the lowest energy pathway connecting a chemical reactant to a chemical product).
The geometric interpretation of Newton's method is that at each iteration, it amounts to the fitting of a parabola to the graph of () at the trial value , having the same slope and curvature as the graph at that point, and then proceeding to the maximum or minimum of that parabola (in higher dimensions, this may also be a saddle point), see below.
The stationary points are the red circles. In this graph, they are all relative maxima or relative minima. The blue squares are inflection points.. In mathematics, particularly in calculus, a stationary point of a differentiable function of one variable is a point on the graph of the function where the function's derivative is zero.
A first-order saddle point is a position on the PES corresponding to a minimum in all directions except one; a second-order saddle point is a minimum in all directions except two, and so on. Defined mathematically, an n th order saddle point is characterized by the following: ∂ E /∂ r = 0 and the Hessian matrix, ∂∂ E /∂ r i ∂ r j ...
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The x-coordinates of the red circles are stationary points; the blue squares are inflection points. In mathematics, a critical point is the argument of a function where the function derivative is zero (or undefined, as specified below). The value of the function at a critical point is a critical value. [1]
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