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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]
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]
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 ...
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).
A system moving between two points takes one particular path; other similar paths are not taken. Each path corresponds to a value of the action. An action principle predicts or explains that the particular path taken has a stationary value for the system's action: similar paths near the one taken have very similar action value.
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.